N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide

C93H132F9N13O15S7 — CID 157436171

IUPACN,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide
SMILESCCC(=O)c1ccc(C)s1.COCCN(CCOC)C(=O)c1ccc(C)s1.COCN(C)C(=O)c1ccc(C)s1.Cc1ccc(C(=O)CCCN(C)C)s1.Cc1ccc(C(=O)CCCO)s1.Cc1ccc(C(=O)N(C)C)s1.Cc1ccc(C(N)=O)s1.Cc1cn(CCO)nc1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C
InChIInChI=1S/C12H19NO3S.C11H17NOS.C9H13NO2S.C9H12O2S.2C8H11F3N2O.C8H11NOS.C8H10OS.C7H9F3N2O.C7H12N2O.C6H7NOS/c1-10-4-5-11(17-10)12(14)13(6-8-15-2)7-9-16-3;1-9-6-7-11(14-9)10(13)5-4-8-12(2)3;1-7-4-5-8(13-7)9(11)10(2)6-12-3;1-7-4-5-9(12-7)8(11)3-2-6-10;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;1-6-4-5-7(11-6)8(10)9(2)3;1-3-7(9)8-5-4-6(2)10-8;1-5-4-11-12(2-3-13)6(5)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-4-2-3-5(9-4)6(7)8/h4-5H,6-9H2,1-3H3;6-7H,4-5,8H2,1-3H3;4-5H,6H2,1-3H3;4-5,10H,2-3,6H2,1H3;2*14H,3-4H2,1-2H3;4-5H,1-3H3;4-5H,3H2,1-2H3;4,13H,2-3H2,1H3;5,10H,3-4H2,1-2H3;2-3H,1H3,(H2,7,8)
InChIKeyBRCXNLFAPZAELB-UHFFFAOYSA-N
MW2067.61 g/mol
LogP18.40
Rot. Bonds31

About N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide

N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide (PubChem CID 157436171) has the molecular formula C93H132F9N13O15S7 and a molecular weight of 2067.61 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide
PubChem CID157436171
Molecular FormulaC93H132F9N13O15S7
Molecular Weight2067.61 g/mol
Exact Mass2065.79
IUPAC NameN,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide
SMILESCCC(=O)c1ccc(C)s1.COCCN(CCOC)C(=O)c1ccc(C)s1.COCN(C)C(=O)c1ccc(C)s1.Cc1ccc(C(=O)CCCN(C)C)s1.Cc1ccc(C(=O)CCCO)s1.Cc1ccc(C(=O)N(C)C)s1.Cc1ccc(C(N)=O)s1.Cc1cn(CCO)nc1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C
InChIInChI=1S/C12H19NO3S.C11H17NOS.C9H13NO2S.C9H12O2S.2C8H11F3N2O.C8H11NOS.C8H10OS.C7H9F3N2O.C7H12N2O.C6H7NOS/c1-10-4-5-11(17-10)12(14)13(6-8-15-2)7-9-16-3;1-9-6-7-11(14-9)10(13)5-4-8-12(2)3;1-7-4-5-8(13-7)9(11)10(2)6-12-3;1-7-4-5-9(12-7)8(11)3-2-6-10;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;1-6-4-5-7(11-6)8(10)9(2)3;1-3-7(9)8-5-4-6(2)10-8;1-5-4-11-12(2-3-13)6(5)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-4-2-3-5(9-4)6(7)8/h4-5H,6-9H2,1-3H3;6-7H,4-5,8H2,1-3H3;4-5H,6H2,1-3H3;4-5,10H,2-3,6H2,1H3;2*14H,3-4H2,1-2H3;4-5H,1-3H3;4-5H,3H2,1-2H3;4,13H,2-3H2,1H3;5,10H,3-4H2,1-2H3;2-3H,1H3,(H2,7,8)
InChIKeyBRCXNLFAPZAELB-UHFFFAOYSA-N
XLogP18.40
TPSA358.59 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.61
LogP ≤ 518.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide (CID 157436171) is N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide is CCC(=O)c1ccc(C)s1.COCCN(CCOC)C(=O)c1ccc(C)s1.COCN(C)C(=O)c1ccc(C)s1.Cc1ccc(C(=O)CCCN(C)C)s1.Cc1ccc(C(=O)CCCO)s1.Cc1ccc(C(=O)N(C)C)s1.Cc1ccc(C(N)=O)s1.Cc1cn(CCO)nc1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide?
The InChIKey is BRCXNLFAPZAELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S.C11H17NOS.C9H13NO2S.C9H12O2S.2C8H11F3N2O.C8H11NOS.C8H10OS.C7H9F3N2O.C7H12N2O.C6H7NOS/c1-10-4-5-11(17-10)12(14)13(6-8-15-2)7-9-16-3;1-9-6-7-11(14-9)10(13)5-4-8-12(2)3;1-7-4-5-8(13-7)9(11)10(2)6-12-3;1-7-4-5-9(12-7)8(11)3-2-6-10;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;1-6-4-5-7(11-6)8(10)9(2)3;1-3-7(9)8-5-4-6(2)10-8;1-5-4-11-12(2-3-13)6(5)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-4-2-3-5(9-4)6(7)8/h4-5H,6-9H2,1-3H3;6-7H,4-5,8H2,1-3H3;4-5H,6H2,1-3H3;4-5,10H,2-3,6H2,1H3;2*14H,3-4H2,1-2H3;4-5H,1-3H3;4-5H,3H2,1-2H3;4,13H,2-3H2,1H3;5,10H,3-4H2,1-2H3;2-3H,1H3,(H2,7,8).
What are the key properties of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide?
N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide has a molecular weight of 2067.61 g/mol, XLogP of 18.40, 31 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;4-(dimethylamino)-1-(5-methylthiophen-2-yl)butan-1-one;2-(3,4-dimethylpyrazol-1-yl)ethanol;bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one;N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;N,N,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 157436171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).