N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide

C24H35N3O4S2 — CID 161208308

IUPACN-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C24H35N3O4S2/c1-15-4-5-19(14-22(15)33(29,30)27-20-6-8-21(28)9-7-20)23-17(3)26-24(32-23)25-16(2)18-10-12-31-13-11-18/h4-5,14,16,18,20-21,27-28H,6-13H2,1-3H3,(H,25,26)
InChIKeyUVWYVNMQWDUTIA-UHFFFAOYSA-N
MW493.70 g/mol
LogP4.24
Rot. Bonds7

About N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide

N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 161208308) has the molecular formula C24H35N3O4S2 and a molecular weight of 493.70 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID161208308
Molecular FormulaC24H35N3O4S2
Molecular Weight493.70 g/mol
Exact Mass493.21
IUPAC NameN-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C24H35N3O4S2/c1-15-4-5-19(14-22(15)33(29,30)27-20-6-8-21(28)9-7-20)23-17(3)26-24(32-23)25-16(2)18-10-12-31-13-11-18/h4-5,14,16,18,20-21,27-28H,6-13H2,1-3H3,(H,25,26)
InChIKeyUVWYVNMQWDUTIA-UHFFFAOYSA-N
XLogP4.24
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide (CID 161208308) is N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide is Cc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is UVWYVNMQWDUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S2/c1-15-4-5-19(14-22(15)33(29,30)27-20-6-8-21(28)9-7-20)23-17(3)26-24(32-23)25-16(2)18-10-12-31-13-11-18/h4-5,14,16,18,20-21,27-28H,6-13H2,1-3H3,(H,25,26).
What are the key properties of N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide has a molecular weight of 493.70 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 161208308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).