5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide

C24H36N4O3S2 — CID 121467267

IUPAC5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
SMILESCOc1ccc(-c2sc(N[C@H](C)C3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C24H36N4O3S2/c1-16(18-8-5-4-6-9-18)26-24-27-17(2)23(32-24)19-11-12-21(31-3)22(14-19)33(29,30)28-20-10-7-13-25-15-20/h11-12,14,16,18,20,25,28H,4-10,13,15H2,1-3H3,(H,26,27)/t16-,20?/m1/s1
InChIKeyPYDDYPWIQFPTSD-QRIPLOBPSA-N
MW492.71 g/mol
LogP4.54
Rot. Bonds8

About 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide

5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 121467267) has the molecular formula C24H36N4O3S2 and a molecular weight of 492.71 g/mol. Its IUPAC name is 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
PubChem CID121467267
Molecular FormulaC24H36N4O3S2
Molecular Weight492.71 g/mol
Exact Mass492.22
IUPAC Name5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
SMILESCOc1ccc(-c2sc(N[C@H](C)C3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C24H36N4O3S2/c1-16(18-8-5-4-6-9-18)26-24-27-17(2)23(32-24)19-11-12-21(31-3)22(14-19)33(29,30)28-20-10-7-13-25-15-20/h11-12,14,16,18,20,25,28H,4-10,13,15H2,1-3H3,(H,26,27)/t16-,20?/m1/s1
InChIKeyPYDDYPWIQFPTSD-QRIPLOBPSA-N
XLogP4.54
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-4-methoxybenzenesulfonamide
CID 71451014
2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 20647101
N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 22254131
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87061302
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 127031333
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 49791044
tert-butyl N-[2-[[5-[2-(heptanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]ethyl]carbamate
CID 170945186
tert-butyl N-[(3R)-1-[5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylpiperidin-3-yl]carbamate
CID 170945189
tert-butyl N-[2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-methoxyphenyl]sulfonylamino]ethyl]carbamate
CID 170945193
tert-butyl N-[2-[[2-methoxy-5-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]phenyl]sulfonylamino]ethyl]carbamate
CID 170945195
tert-butyl N-[2-[[5-[2-(butanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]ethyl]carbamate
CID 170945198
tert-butyl N-[2-[[2-methoxy-5-[4-methyl-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]phenyl]sulfonylamino]ethyl]carbamate
CID 170945200

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide (CID 121467267) is 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide is COc1ccc(-c2sc(N[C@H](C)C3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCNC1.
What is the InChIKey of 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is PYDDYPWIQFPTSD-QRIPLOBPSA-N. The full InChI is InChI=1S/C24H36N4O3S2/c1-16(18-8-5-4-6-9-18)26-24-27-17(2)23(32-24)19-11-12-21(31-3)22(14-19)33(29,30)28-20-10-7-13-25-15-20/h11-12,14,16,18,20,25,28H,4-10,13,15H2,1-3H3,(H,26,27)/t16-,20?/m1/s1.
What are the key properties of 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 492.71 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(1R)-1-cyclohexylethyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 121467267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).