5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide

C15H15ClN2O2S — CID 42928444

IUPAC5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-9(11-3-5-12(16)6-4-11)17-15(20)13-7-8-14(21-13)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyFKEPMHAQNBZZFP-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.85
Rot. Bonds4

About 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide

5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 42928444) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID42928444
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-9(11-3-5-12(16)6-4-11)17-15(20)13-7-8-14(21-13)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyFKEPMHAQNBZZFP-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 167529315
N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide
CID 162436605
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide (CID 42928444) is 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is FKEPMHAQNBZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-9(11-3-5-12(16)6-4-11)17-15(20)13-7-8-14(21-13)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42928444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).