N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide

C17H26N2O2S — CID 68904531

IUPACN-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C
InChIInChI=1S/C17H26N2O2S/c1-8-18-13(20)11-9(2)10(3)22-15(11)19-14(21)12-16(4,5)17(12,6)7/h12H,8H2,1-7H3,(H,18,20)(H,19,21)
InChIKeyDPHBLPCTGGAKQX-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.74
Rot. Bonds4

About N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide

N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide (PubChem CID 68904531) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
PubChem CID68904531
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C
InChIInChI=1S/C17H26N2O2S/c1-8-18-13(20)11-9(2)10(3)22-15(11)19-14(21)12-16(4,5)17(12,6)7/h12H,8H2,1-7H3,(H,18,20)(H,19,21)
InChIKeyDPHBLPCTGGAKQX-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide with MolForge

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Related Compounds

ethyl 4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
CID 903505
2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid
CID 82033383
ethyl 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 107002319
3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033355
4-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]butanoic acid
CID 82033354
ethyl 4-cyano-3-methyl-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-2-carboxylate
CID 23774614
ethyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3631957
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 56695006
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 7128933
ethyl 5,5,7,7-tetramethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 68908471
N-(3-methylbutyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide
CID 68908298

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide (CID 68904531) is N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide is CCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C.
What is the InChIKey of N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
The InChIKey is DPHBLPCTGGAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-8-18-13(20)11-9(2)10(3)22-15(11)19-14(21)12-16(4,5)17(12,6)7/h12H,8H2,1-7H3,(H,18,20)(H,19,21).
What are the key properties of N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 68904531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).