N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

C22H18ClFN2O2S — CID 26072826

IUPACN-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H18ClFN2O2S/c23-18-10-5-15(12-19(18)25-21(27)20-2-1-11-29-20)22(28)26(17-8-9-17)13-14-3-6-16(24)7-4-14/h1-7,10-12,17H,8-9,13H2,(H,25,27)
InChIKeyFVQLXBGMABEWOW-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.60
Rot. Bonds6

About N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 26072826) has the molecular formula C22H18ClFN2O2S and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID26072826
Molecular FormulaC22H18ClFN2O2S
Molecular Weight428.92 g/mol
Exact Mass428.08
IUPAC NameN-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H18ClFN2O2S/c23-18-10-5-15(12-19(18)25-21(27)20-2-1-11-29-20)22(28)26(17-8-9-17)13-14-3-6-16(24)7-4-14/h1-7,10-12,17H,8-9,13H2,(H,25,27)
InChIKeyFVQLXBGMABEWOW-UHFFFAOYSA-N
XLogP5.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 30806659
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 52547897
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate
CID 3549796
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119462948
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 26072826) is N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FVQLXBGMABEWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2S/c23-18-10-5-15(12-19(18)25-21(27)20-2-1-11-29-20)22(28)26(17-8-9-17)13-14-3-6-16(24)7-4-14/h1-7,10-12,17H,8-9,13H2,(H,25,27).
What are the key properties of N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 26072826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).