4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide

C17H20N2O2S — CID 873623

IUPAC4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)CCc2ccccc2)c1C(N)=O
InChIInChI=1S/C17H20N2O2S/c1-3-13-11(2)22-17(15(13)16(18)21)19-14(20)10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyRUJWSRYCXIFWMW-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.29
Rot. Bonds6

About 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide

4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide (PubChem CID 873623) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide
PubChem CID873623
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)CCc2ccccc2)c1C(N)=O
InChIInChI=1S/C17H20N2O2S/c1-3-13-11(2)22-17(15(13)16(18)21)19-14(20)10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyRUJWSRYCXIFWMW-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673481
N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
6-Tert-butyl-2-[(2,6-difluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3604361
2-(2-(Benzo[b]thiophen-3-yl)acetamido)thiophene-3-carboxamide
CID 46926788
2-((2-Bromo-2,2-difluoroacetyl)amino)-5,6,7,8-tetrahydro-N-(2-methylphenyl)-4H-cyclohepta(b)thiophene-3-carboxamide
CID 129897070
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
N-(3-benzoylthien-2-yl)-2-chloroacetamide
CID 819037
2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide (CID 873623) is 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)CCc2ccccc2)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
The InChIKey is RUJWSRYCXIFWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-13-11(2)22-17(15(13)16(18)21)19-14(20)10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 873623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).