N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide

C35H37N3O4S — CID 12027398

IUPACN-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C3(C(=O)NC4CCCCC4)CCCC3)c2=O)cc1
InChIInChI=1S/C35H37N3O4S/c1-25-19-21-29(22-20-25)43(41,42)32-30(26-13-5-2-6-14-26)31(27-15-7-3-8-16-27)37-38(33(32)39)35(23-11-12-24-35)34(40)36-28-17-9-4-10-18-28/h2-3,5-8,13-16,19-22,28H,4,9-12,17-18,23-24H2,1H3,(H,36,40)
InChIKeySJSAKOPMLSGFDU-UHFFFAOYSA-N
MW595.77 g/mol
LogP6.44
Rot. Bonds7

About N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide

N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide (PubChem CID 12027398) has the molecular formula C35H37N3O4S and a molecular weight of 595.77 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide
PubChem CID12027398
Molecular FormulaC35H37N3O4S
Molecular Weight595.77 g/mol
Exact Mass595.25
IUPAC NameN-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C3(C(=O)NC4CCCCC4)CCCC3)c2=O)cc1
InChIInChI=1S/C35H37N3O4S/c1-25-19-21-29(22-20-25)43(41,42)32-30(26-13-5-2-6-14-26)31(27-15-7-3-8-16-27)37-38(33(32)39)35(23-11-12-24-35)34(40)36-28-17-9-4-10-18-28/h2-3,5-8,13-16,19-22,28H,4,9-12,17-18,23-24H2,1H3,(H,36,40)
InChIKeySJSAKOPMLSGFDU-UHFFFAOYSA-N
XLogP6.44
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.77
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide
CID 11509481
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
[3-methyl-4-(4-methylphenyl)sulfonyl-1-phenylpyrazol-5-yl] cyclohexanecarboxylate
CID 4181816
N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide
CID 43822320
N-cyclohexyl-N'-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]butanediamide
CID 5186742
N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118789924
N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073513
1-cyclohexyl-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]sulfonylurea
CID 134111037
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CID 11291808
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
(2S)-N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-2-carboxamide
CID 92705822
N-cyclohexyl-1-piperidin-1-ylcyclopropane-1-carboxamide
CID 69234976

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide (CID 12027398) is N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide is Cc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C3(C(=O)NC4CCCCC4)CCCC3)c2=O)cc1.
What is the InChIKey of N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide?
The InChIKey is SJSAKOPMLSGFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O4S/c1-25-19-21-29(22-20-25)43(41,42)32-30(26-13-5-2-6-14-26)31(27-15-7-3-8-16-27)37-38(33(32)39)35(23-11-12-24-35)34(40)36-28-17-9-4-10-18-28/h2-3,5-8,13-16,19-22,28H,4,9-12,17-18,23-24H2,1H3,(H,36,40).
What are the key properties of N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide?
N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide has a molecular weight of 595.77 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 12027398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).