5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide

C24H26N2O3S — CID 90954332

IUPAC5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(Sc2ccccc2)cc1)c1c(O)[nH]c(CC2CCCCC2)c1O
InChIInChI=1S/C24H26N2O3S/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h2,5-6,9-14,16,26-27,29H,1,3-4,7-8,15H2,(H,25,28)
InChIKeyUZILZOHLKMFBPB-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.95
Rot. Bonds6

About 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide

5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 90954332) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID90954332
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(Sc2ccccc2)cc1)c1c(O)[nH]c(CC2CCCCC2)c1O
InChIInChI=1S/C24H26N2O3S/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h2,5-6,9-14,16,26-27,29H,1,3-4,7-8,15H2,(H,25,28)
InChIKeyUZILZOHLKMFBPB-UHFFFAOYSA-N
XLogP5.95
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 91158203
N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide
CID 91356775
5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 136636420
5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 11518254
2-chloro-N-(4-phenylsulfanylphenyl)acetamide
CID 12734393
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
4-cyclopentyl-1-(4-phenylsulfanylphenyl)butane-1,2-dione
CID 175975963
4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide
CID 58930422
N-(4-cyclohexylphenyl)benzamide
CID 10333838
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 163492328
1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide
CID 14151559

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide (CID 90954332) is 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide is O=C(Nc1ccc(Sc2ccccc2)cc1)c1c(O)[nH]c(CC2CCCCC2)c1O.
What is the InChIKey of 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is UZILZOHLKMFBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h2,5-6,9-14,16,26-27,29H,1,3-4,7-8,15H2,(H,25,28).
What are the key properties of 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 5.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90954332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).