N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide

C24H25N5O3S — CID 25153577

IUPACN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C24H25N5O3S/c1-17-3-6-21(13-22(17)27-33(31,32)23-15-28(2)16-26-23)24(30)29-11-9-20(10-12-29)19-7-4-18(14-25)5-8-19/h3-8,13,15-16,20,27H,9-12H2,1-2H3
InChIKeyYUQGLWXCGSFRPC-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.42
Rot. Bonds5

About N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 25153577) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide
PubChem CID25153577
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C24H25N5O3S/c1-17-3-6-21(13-22(17)27-33(31,32)23-15-28(2)16-26-23)24(30)29-11-9-20(10-12-29)19-7-4-18(14-25)5-8-19/h3-8,13,15-16,20,27H,9-12H2,1-2H3
InChIKeyYUQGLWXCGSFRPC-UHFFFAOYSA-N
XLogP3.42
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 25107444
5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 87727485
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 70872451
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(2,2-dimethylpropyl)urea
CID 25128972
N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide
CID 69168018

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide (CID 25153577) is N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is YUQGLWXCGSFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-17-3-6-21(13-22(17)27-33(31,32)23-15-28(2)16-26-23)24(30)29-11-9-20(10-12-29)19-7-4-18(14-25)5-8-19/h3-8,13,15-16,20,27H,9-12H2,1-2H3.
What are the key properties of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 463.56 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 25153577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).