N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide

C22H19ClN2O2S — CID 55461957

IUPACN-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H19ClN2O2S/c23-17-10-9-15(14-18(17)24-21(27)19-8-4-13-28-19)20(26)25-22(11-5-12-22)16-6-2-1-3-7-16/h1-4,6-10,13-14H,5,11-12H2,(H,24,27)(H,25,26)
InChIKeySAFDQSXRRYKZRD-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.46
Rot. Bonds5

About N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55461957) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55461957
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H19ClN2O2S/c23-17-10-9-15(14-18(17)24-21(27)19-8-4-13-28-19)20(26)25-22(11-5-12-22)16-6-2-1-3-7-16/h1-4,6-10,13-14H,5,11-12H2,(H,24,27)(H,25,26)
InChIKeySAFDQSXRRYKZRD-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
CID 102561133

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 55461957) is N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(NC1(c2ccccc2)CCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SAFDQSXRRYKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c23-17-10-9-15(14-18(17)24-21(27)19-8-4-13-28-19)20(26)25-22(11-5-12-22)16-6-2-1-3-7-16/h1-4,6-10,13-14H,5,11-12H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55461957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).