N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

C23H22N2O3S — CID 9299373

IUPACN-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C2CC2)cc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-11-7-16(8-12-20)15-25(19-9-10-19)23(27)17-4-2-5-18(14-17)24-22(26)21-6-3-13-29-21/h2-8,11-14,19H,9-10,15H2,1H3,(H,24,26)
InChIKeyXCKJTZKGLHVWGP-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.81
Rot. Bonds7

About N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9299373) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9299373
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C2CC2)cc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-11-7-16(8-12-20)15-25(19-9-10-19)23(27)17-4-2-5-18(14-17)24-22(26)21-6-3-13-29-21/h2-8,11-14,19H,9-10,15H2,1H3,(H,24,26)
InChIKeyXCKJTZKGLHVWGP-UHFFFAOYSA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
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-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 35091110
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24515681
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26072826
N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 119553932
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 9299373) is N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C2CC2)cc1.
What is the InChIKey of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XCKJTZKGLHVWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-28-20-11-7-16(8-12-20)15-25(19-9-10-19)23(27)17-4-2-5-18(14-17)24-22(26)21-6-3-13-29-21/h2-8,11-14,19H,9-10,15H2,1H3,(H,24,26).
What are the key properties of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9299373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).