1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide

C22H30N4O3S2 — CID 90597267

IUPAC1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCc1cccc(S(=O)(=O)NC2(C(=O)NC3CCN(c4nccs4)CC3)CCCCC2)c1
InChIInChI=1S/C22H30N4O3S2/c1-17-6-5-7-19(16-17)31(28,29)25-22(10-3-2-4-11-22)20(27)24-18-8-13-26(14-9-18)21-23-12-15-30-21/h5-7,12,15-16,18,25H,2-4,8-11,13-14H2,1H3,(H,24,27)
InChIKeyAQOZUQOCPLXCPU-UHFFFAOYSA-N
MW462.64 g/mol
LogP3.22
Rot. Bonds6

About 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide

1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 90597267) has the molecular formula C22H30N4O3S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide
PubChem CID90597267
Molecular FormulaC22H30N4O3S2
Molecular Weight462.64 g/mol
Exact Mass462.18
IUPAC Name1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCc1cccc(S(=O)(=O)NC2(C(=O)NC3CCN(c4nccs4)CC3)CCCCC2)c1
InChIInChI=1S/C22H30N4O3S2/c1-17-6-5-7-19(16-17)31(28,29)25-22(10-3-2-4-11-22)20(27)24-18-8-13-26(14-9-18)21-23-12-15-30-21/h5-7,12,15-16,18,25H,2-4,8-11,13-14H2,1H3,(H,24,27)
InChIKeyAQOZUQOCPLXCPU-UHFFFAOYSA-N
XLogP3.22
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide 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

4-[(3-methylphenyl)sulfonylamino]-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875343
3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide
CID 90627511
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 90595353
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
N-[1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclohexyl]-3-methylbenzenesulfonamide
CID 122255300
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide (CID 90597267) is 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide is Cc1cccc(S(=O)(=O)NC2(C(=O)NC3CCN(c4nccs4)CC3)CCCCC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is AQOZUQOCPLXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2/c1-17-6-5-7-19(16-17)31(28,29)25-22(10-3-2-4-11-22)20(27)24-18-8-13-26(14-9-18)21-23-12-15-30-21/h5-7,12,15-16,18,25H,2-4,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide?
1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90597267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).