N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide

C21H28N2O4S — CID 32513296

IUPACN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cc1CC
InChIInChI=1S/C21H28N2O4S/c1-7-9-18-13(8-2)10-19(28-18)20(24)22-15-12-17(27-6)16(26-5)11-14(15)21(25)23(3)4/h10-12H,7-9H2,1-6H3,(H,22,24)
InChIKeyPXDQSJNNTKYLAR-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.23
Rot. Bonds8

About N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide

N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 32513296) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID32513296
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cc1CC
InChIInChI=1S/C21H28N2O4S/c1-7-9-18-13(8-2)10-19(28-18)20(24)22-15-12-17(27-6)16(26-5)11-14(15)21(25)23(3)4/h10-12H,7-9H2,1-6H3,(H,22,24)
InChIKeyPXDQSJNNTKYLAR-UHFFFAOYSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 42088350
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
4-ethyl-N-(4-methoxy-3-sulfamoylphenyl)-5-propylthiophene-2-carboxamide
CID 9378750
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide
CID 55389618
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119719067
4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 26087870
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide (CID 32513296) is N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cc1CC.
What is the InChIKey of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is PXDQSJNNTKYLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-7-9-18-13(8-2)10-19(28-18)20(24)22-15-12-17(27-6)16(26-5)11-14(15)21(25)23(3)4/h10-12H,7-9H2,1-6H3,(H,22,24).
What are the key properties of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide?
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 32513296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).