2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide

C22H24N4OS — CID 142339925

IUPAC2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2cccc2Sc2ccncc2)cc1NC1CCCCC1
InChIInChI=1S/C22H24N4OS/c23-22(27)19-9-8-17(15-20(19)25-16-5-2-1-3-6-16)26-14-4-7-21(26)28-18-10-12-24-13-11-18/h4,7-16,25H,1-3,5-6H2,(H2,23,27)
InChIKeyACCNZRUDZWLYES-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.87
Rot. Bonds6

About 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide

2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide (PubChem CID 142339925) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
PubChem CID142339925
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2cccc2Sc2ccncc2)cc1NC1CCCCC1
InChIInChI=1S/C22H24N4OS/c23-22(27)19-9-8-17(15-20(19)25-16-5-2-1-3-6-16)26-14-4-7-21(26)28-18-10-12-24-13-11-18/h4,7-16,25H,1-3,5-6H2,(H2,23,27)
InChIKeyACCNZRUDZWLYES-UHFFFAOYSA-N
XLogP4.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 134479133
2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
CID 134479235
4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
CID 142339937
2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
CID 123990300
2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
CID 67500945
2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
CID 142339916
2-(cyclopentylamino)-4-(3-phenylpyrrolo[2,3-b]pyrazin-5-yl)benzoic acid
CID 166128347
2-(cyclohexylamino)-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-3a,5,7,7a-tetrahydroindazol-1-yl]benzamide
CID 123550595
N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
CID 142339914
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide
CID 174552646
2-(cyclopropylamino)benzamide
CID 119089293

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide?
The IUPAC name of 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide (CID 142339925) is 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide?
The canonical SMILES for 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide is NC(=O)c1ccc(-n2cccc2Sc2ccncc2)cc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide?
The InChIKey is ACCNZRUDZWLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c23-22(27)19-9-8-17(15-20(19)25-16-5-2-1-3-6-16)26-14-4-7-21(26)28-18-10-12-24-13-11-18/h4,7-16,25H,1-3,5-6H2,(H2,23,27).
What are the key properties of 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide?
2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide has a molecular weight of 392.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide is sourced from PubChem (CID 142339925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).