N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C20H17ClN2O2S — CID 55373079

IUPACN-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2S/c1-13(16-5-2-3-6-17(16)21)22-19(24)14-8-10-15(11-9-14)23-20(25)18-7-4-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyKXOPDPHSBWQZBC-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.14
Rot. Bonds5

About N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55373079) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55373079
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2S/c1-13(16-5-2-3-6-17(16)21)22-19(24)14-8-10-15(11-9-14)23-20(25)18-7-4-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyKXOPDPHSBWQZBC-UHFFFAOYSA-N
XLogP5.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 51205981
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 27965444
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43058073
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55373079) is N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KXOPDPHSBWQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-13(16-5-2-3-6-17(16)21)22-19(24)14-8-10-15(11-9-14)23-20(25)18-7-4-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55373079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).