N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide

C22H19N3O3S — CID 55531865

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1)NC1CC1
InChIInChI=1S/C22H19N3O3S/c26-20(19-6-3-13-29-19)17-4-1-2-5-18(17)21(27)23-14-7-9-15(10-8-14)24-22(28)25-16-11-12-16/h1-10,13,16H,11-12H2,(H,23,27)(H2,24,25,28)
InChIKeyZUTPJVULBMVQJI-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.52
Rot. Bonds6

About N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 55531865) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID55531865
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1)NC1CC1
InChIInChI=1S/C22H19N3O3S/c26-20(19-6-3-13-29-19)17-4-1-2-5-18(17)21(27)23-14-7-9-15(10-8-14)24-22(28)25-16-11-12-16/h1-10,13,16H,11-12H2,(H,23,27)(H2,24,25,28)
InChIKeyZUTPJVULBMVQJI-UHFFFAOYSA-N
XLogP4.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 38715443
N-(3-fluorophenyl)-2-(thiophene-2-carbonyl)benzamide
CID 36678143
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
CID 37345483
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(thiophene-2-carbonyl)benzamide
CID 46646361
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 86898714
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835492
N-[4-[(4-ethylcyclohexyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 112816443
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide (CID 55531865) is N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide is O=C(Nc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is ZUTPJVULBMVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-20(19-6-3-13-29-19)17-4-1-2-5-18(17)21(27)23-14-7-9-15(10-8-14)24-22(28)25-16-11-12-16/h1-10,13,16H,11-12H2,(H,23,27)(H2,24,25,28).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 405.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 55531865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).