N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide

C23H20ClN3O3S — CID 30806659

IUPACN-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C2CC2)cc1
InChIInChI=1S/C23H20ClN3O3S/c24-18-10-7-16(12-19(18)26-22(29)20-2-1-11-31-20)23(30)27(17-8-9-17)13-14-3-5-15(6-4-14)21(25)28/h1-7,10-12,17H,8-9,13H2,(H2,25,28)(H,26,29)
InChIKeyNWAYWIUKCDXZEO-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.56
Rot. Bonds7

About N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide

N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 30806659) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID30806659
Molecular FormulaC23H20ClN3O3S
Molecular Weight453.95 g/mol
Exact Mass453.09
IUPAC NameN-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C2CC2)cc1
InChIInChI=1S/C23H20ClN3O3S/c24-18-10-7-16(12-19(18)26-22(29)20-2-1-11-31-20)23(30)27(17-8-9-17)13-14-3-5-15(6-4-14)21(25)28/h1-7,10-12,17H,8-9,13H2,(H2,25,28)(H,26,29)
InChIKeyNWAYWIUKCDXZEO-UHFFFAOYSA-N
XLogP4.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26072826
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate
CID 3549796
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
CID 38371276
2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192813

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide (CID 30806659) is N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide is NC(=O)c1ccc(CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C2CC2)cc1.
What is the InChIKey of N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is NWAYWIUKCDXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c24-18-10-7-16(12-19(18)26-22(29)20-2-1-11-31-20)23(30)27(17-8-9-17)13-14-3-5-15(6-4-14)21(25)28/h1-7,10-12,17H,8-9,13H2,(H2,25,28)(H,26,29).
What are the key properties of N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30806659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).