3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide

C19H22N2O2S — CID 94817248

IUPAC3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
SMILESCCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C2CC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-17(22)21-15-8-6-13(7-9-15)12(2)20-19(23)18-16(10-11-24-18)14-4-5-14/h6-12,14H,3-5H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyPBDBHNGZMLMTQQ-LBPRGKRZSA-N
MW342.46 g/mol
LogP4.47
Rot. Bonds6

About 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide

3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 94817248) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID94817248
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
SMILESCCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C2CC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-17(22)21-15-8-6-13(7-9-15)12(2)20-19(23)18-16(10-11-24-18)14-4-5-14/h6-12,14H,3-5H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyPBDBHNGZMLMTQQ-LBPRGKRZSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 94215253
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide
CID 95968967
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
CID 120828095
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 51095429
4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide
CID 55655958
N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide
CID 95598590
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
CID 55645122

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide (CID 94817248) is 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide is CCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is PBDBHNGZMLMTQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-17(22)21-15-8-6-13(7-9-15)12(2)20-19(23)18-16(10-11-24-18)14-4-5-14/h6-12,14H,3-5H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 94817248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).