2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C24H33N3O4S2 — CID 121465490

IUPAC2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C24H33N3O4S2/c1-15-10-11-18(13-21(15)33(30,31)27-19-8-5-9-20(28)14-19)23-16(2)25-24(32-23)26-22(29)12-17-6-3-4-7-17/h10-11,13,17,19-20,27-28H,3-9,12,14H2,1-2H3,(H,25,26,29)/t19-,20+/m0/s1
InChIKeyWLKVTKNKLYXWDK-VQTJNVASSA-N
MW491.68 g/mol
LogP4.53
Rot. Bonds7

About 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 121465490) has the molecular formula C24H33N3O4S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID121465490
Molecular FormulaC24H33N3O4S2
Molecular Weight491.68 g/mol
Exact Mass491.19
IUPAC Name2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C24H33N3O4S2/c1-15-10-11-18(13-21(15)33(30,31)27-19-8-5-9-20(28)14-19)23-16(2)25-24(32-23)26-22(29)12-17-6-3-4-7-17/h10-11,13,17,19-20,27-28H,3-9,12,14H2,1-2H3,(H,25,26,29)/t19-,20+/m0/s1
InChIKeyWLKVTKNKLYXWDK-VQTJNVASSA-N
XLogP4.53
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylbenzenesulfonamide
CID 121465472
2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 160991685
2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89493981
2-cyclopentyl-N-[5-[3-[(3-hydroxy-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121452726
5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 121465489
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
CID 161208308
2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 154644803
N-[4-methyl-5-[4-methyl-3-(pyridin-4-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 158014315
2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 114458264
2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 103162313
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-2-methylbenzenesulfonamide
CID 121452709

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 121465490) is 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is WLKVTKNKLYXWDK-VQTJNVASSA-N. The full InChI is InChI=1S/C24H33N3O4S2/c1-15-10-11-18(13-21(15)33(30,31)27-19-8-5-9-20(28)14-19)23-16(2)25-24(32-23)26-22(29)12-17-6-3-4-7-17/h10-11,13,17,19-20,27-28H,3-9,12,14H2,1-2H3,(H,25,26,29)/t19-,20+/m0/s1.
What are the key properties of 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 491.68 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 121465490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).