3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide

C15H15ClN2O2S — CID 46697558

IUPAC3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H15ClN2O2S/c1-10(19)17-13(14-3-2-8-21-14)9-15(20)18-12-6-4-11(16)5-7-12/h2-8,13H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUESGOSFSYDJGJS-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.61
Rot. Bonds5

About 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 46697558) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
PubChem CID46697558
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H15ClN2O2S/c1-10(19)17-13(14-3-2-8-21-14)9-15(20)18-12-6-4-11(16)5-7-12/h2-8,13H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUESGOSFSYDJGJS-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
(3R)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 41358102
3-acetamido-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-thiophen-2-ylpropanamide
CID 46568476
3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
CID 46593487
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 39964074
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(3R)-3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 26062626
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 55499971
3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 43038764
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide (CID 46697558) is 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is UESGOSFSYDJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10(19)17-13(14-3-2-8-21-14)9-15(20)18-12-6-4-11(16)5-7-12/h2-8,13H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 322.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46697558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).