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

C25H38N4O2S2 — CID 121465489

IUPAC5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1ccc(-c2sc(N[C@H](C)CC3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C25H38N4O2S2/c1-17-11-12-21(15-23(17)33(30,31)29-22-10-7-13-26-16-22)24-19(3)28-25(32-24)27-18(2)14-20-8-5-4-6-9-20/h11-12,15,18,20,22,26,29H,4-10,13-14,16H2,1-3H3,(H,27,28)/t18-,22?/m1/s1
InChIKeyFCFXRILSRDHAGO-ZZWBGTBQSA-N
MW490.74 g/mol
LogP5.23
Rot. Bonds8

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

5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 121465489) has the molecular formula C25H38N4O2S2 and a molecular weight of 490.74 g/mol. Its IUPAC name is 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID121465489
Molecular FormulaC25H38N4O2S2
Molecular Weight490.74 g/mol
Exact Mass490.24
IUPAC Name5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1ccc(-c2sc(N[C@H](C)CC3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C25H38N4O2S2/c1-17-11-12-21(15-23(17)33(30,31)29-22-10-7-13-26-16-22)24-19(3)28-25(32-24)27-18(2)14-20-8-5-4-6-9-20/h11-12,15,18,20,22,26,29H,4-10,13-14,16H2,1-3H3,(H,27,28)/t18-,22?/m1/s1
InChIKeyFCFXRILSRDHAGO-ZZWBGTBQSA-N
XLogP5.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide with MolForge

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Related Compounds

N-cycloheptyl-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylbenzenesulfonamide
CID 121465472
5-[2-(2-cyclohexylethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 121452656
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-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121465490
5-[2-(2-cyclohexylethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfinamide
CID 154644813
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-2-methylbenzenesulfonamide
CID 121452709
N-(3-chloro-4-fluorophenyl)-5-[2-[[(2R)-2-cyclohexylpropyl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzenesulfonamide
CID 135139804
N-(4-hydroxycyclohexyl)-2-methoxy-5-[4-methyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 121452691
2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 159402664
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 121465489) is 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide is Cc1ccc(-c2sc(N[C@H](C)CC3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCNC1.
What is the InChIKey of 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is FCFXRILSRDHAGO-ZZWBGTBQSA-N. The full InChI is InChI=1S/C25H38N4O2S2/c1-17-11-12-21(15-23(17)33(30,31)29-22-10-7-13-26-16-22)24-19(3)28-25(32-24)27-18(2)14-20-8-5-4-6-9-20/h11-12,15,18,20,22,26,29H,4-10,13-14,16H2,1-3H3,(H,27,28)/t18-,22?/m1/s1.
What are the key properties of 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 490.74 g/mol, XLogP of 5.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2R)-1-cyclohexylpropan-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 121465489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).