2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide

C16H17ClN2O2S — CID 86840905

IUPAC2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C16H17ClN2O2S/c1-10(18-11(2)20)16(21)19-15(13-7-8-22-9-13)12-3-5-14(17)6-4-12/h3-10,15H,1-2H3,(H,18,20)(H,19,21)
InChIKeyNNLGKOCLAGWYIB-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.13
Rot. Bonds5

About 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide

2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide (PubChem CID 86840905) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide
PubChem CID86840905
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C16H17ClN2O2S/c1-10(18-11(2)20)16(21)19-15(13-7-8-22-9-13)12-3-5-14(17)6-4-12/h3-10,15H,1-2H3,(H,18,20)(H,19,21)
InChIKeyNNLGKOCLAGWYIB-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N-(4-chlorobenzyl)-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726749
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 4843549
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
N-(2-((4-chlorophenyl)(phenyl)methylamino)-2-oxoethyl)thiophene-3-carboxamide
CID 24897002
Proline scaffold, 24
CID 42618122

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide?
The IUPAC name of 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide (CID 86840905) is 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide?
The canonical SMILES for 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide is CC(=O)NC(C)C(=O)NC(c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide?
The InChIKey is NNLGKOCLAGWYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10(18-11(2)20)16(21)19-15(13-7-8-22-9-13)12-3-5-14(17)6-4-12/h3-10,15H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide?
2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide has a molecular weight of 336.84 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide is sourced from PubChem (CID 86840905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).