4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide

C23H24FN3O2S — CID 134479133

IUPAC4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESNC(=O)c1ccc(-n2cccc2Sc2cccc(F)c2)cc1NC1CCC(O)CC1
InChIInChI=1S/C23H24FN3O2S/c24-15-3-1-4-19(13-15)30-22-5-2-12-27(22)17-8-11-20(23(25)29)21(14-17)26-16-6-9-18(28)10-7-16/h1-5,8,11-14,16,18,26,28H,6-7,9-10H2,(H2,25,29)
InChIKeyVEIYVGSKFNYCFH-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.58
Rot. Bonds6

About 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide

4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide (PubChem CID 134479133) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
PubChem CID134479133
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESNC(=O)c1ccc(-n2cccc2Sc2cccc(F)c2)cc1NC1CCC(O)CC1
InChIInChI=1S/C23H24FN3O2S/c24-15-3-1-4-19(13-15)30-22-5-2-12-27(22)17-8-11-20(23(25)29)21(14-17)26-16-6-9-18(28)10-7-16/h1-5,8,11-14,16,18,26,28H,6-7,9-10H2,(H2,25,29)
InChIKeyVEIYVGSKFNYCFH-UHFFFAOYSA-N
XLogP4.58
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
CID 142339925
2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
CID 134479235
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
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
4-[2,2-dimethyl-4-oxo-6-(trifluoromethyl)-1,3-dihydrocarbazol-9-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 154242873
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
4-(5-ethyl-3,6,6-trimethyl-4-oxo-7H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 142704228
2-(cyclopropylamino)benzamide
CID 119089293
2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
CID 24995493

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide?
The IUPAC name of 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide (CID 134479133) is 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide is NC(=O)c1ccc(-n2cccc2Sc2cccc(F)c2)cc1NC1CCC(O)CC1.
What is the InChIKey of 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide?
The InChIKey is VEIYVGSKFNYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-15-3-1-4-19(13-15)30-22-5-2-12-27(22)17-8-11-20(23(25)29)21(14-17)26-16-6-9-18(28)10-7-16/h1-5,8,11-14,16,18,26,28H,6-7,9-10H2,(H2,25,29).
What are the key properties of 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide?
4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide has a molecular weight of 425.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide is sourced from PubChem (CID 134479133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).