N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide

C35H45N3O4S2 — CID 146501796

IUPACN-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2)cc1C
InChIInChI=1S/C35H45N3O4S2/c1-3-44(41,42)37-32-18-15-28(19-23(32)2)25-9-7-24(8-10-25)22-38(35(40)27-13-16-31(39)17-14-27)30-6-4-5-29(20-30)33-21-36-34(43-33)26-11-12-26/h4-6,15,18-21,24-27,31,37,39H,3,7-14,16-17,22H2,1-2H3
InChIKeyDUXZPBOIOPXSQH-UHFFFAOYSA-N
MW635.90 g/mol
LogP7.62
Rot. Bonds10

About N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide

N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 146501796) has the molecular formula C35H45N3O4S2 and a molecular weight of 635.90 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID146501796
Molecular FormulaC35H45N3O4S2
Molecular Weight635.90 g/mol
Exact Mass635.29
IUPAC NameN-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2)cc1C
InChIInChI=1S/C35H45N3O4S2/c1-3-44(41,42)37-32-18-15-28(19-23(32)2)25-9-7-24(8-10-25)22-38(35(40)27-13-16-31(39)17-14-27)30-6-4-5-29(20-30)33-21-36-34(43-33)26-11-12-26/h4-6,15,18-21,24-27,31,37,39H,3,7-14,16-17,22H2,1-2H3
InChIKeyDUXZPBOIOPXSQH-UHFFFAOYSA-N
XLogP7.62
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.90
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-methylcarbamate
CID 135330226
5-[3-[(4-hydroxycyclohexanecarbonyl)-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]amino]phenyl]-1,3-thiazole-2-carboxamide
CID 146501783
4-hydroxy-N-[3-[2-(2-hydroxyethoxy)-1,3-thiazol-5-yl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 146501757
4-cyano-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142431040
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
CID 142431005
[2-[4-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]-2-hydroxyethyl] carbamate
CID 164710963
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-1-(2-hydroxypropanoylamino)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-1λ3-iodinane-4-carboxamide
CID 142431219
4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 135330456
4-(2-aminoacetyl)imino-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142431169
[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl]carbamic acid
CID 135330463
[4-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] hydrogen carbonate
CID 164710968
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 135329564

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide (CID 146501796) is N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide is CCS(=O)(=O)Nc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2)cc1C.
What is the InChIKey of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is DUXZPBOIOPXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N3O4S2/c1-3-44(41,42)37-32-18-15-28(19-23(32)2)25-9-7-24(8-10-25)22-38(35(40)27-13-16-31(39)17-14-27)30-6-4-5-29(20-30)33-21-36-34(43-33)26-11-12-26/h4-6,15,18-21,24-27,31,37,39H,3,7-14,16-17,22H2,1-2H3.
What are the key properties of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 635.90 g/mol, XLogP of 7.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 146501796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).