[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid

C25H36N4O5S2 — CID 155100743

IUPAC[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
SMILESCC(C)NC(=O)Cc1ccc(-c2cnc(C3CCC(NC(=O)O)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H36N4O5S2/c1-15(2)27-22(30)13-16-6-11-19(21(12-16)36(33,34)29-25(3,4)5)20-14-26-23(35-20)17-7-9-18(10-8-17)28-24(31)32/h6,11-12,14-15,17-18,28-29H,7-10,13H2,1-5H3,(H,27,30)(H,31,32)
InChIKeyPJYMPQNIYHOSRM-UHFFFAOYSA-N
MW536.72 g/mol
LogP4.25
Rot. Bonds8

About [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid

[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid (PubChem CID 155100743) has the molecular formula C25H36N4O5S2 and a molecular weight of 536.72 g/mol. Its IUPAC name is [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
PubChem CID155100743
Molecular FormulaC25H36N4O5S2
Molecular Weight536.72 g/mol
Exact Mass536.21
IUPAC Name[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
SMILESCC(C)NC(=O)Cc1ccc(-c2cnc(C3CCC(NC(=O)O)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H36N4O5S2/c1-15(2)27-22(30)13-16-6-11-19(21(12-16)36(33,34)29-25(3,4)5)20-14-26-23(35-20)17-7-9-18(10-8-17)28-24(31)32/h6,11-12,14-15,17-18,28-29H,7-10,13H2,1-5H3,(H,27,30)(H,31,32)
InChIKeyPJYMPQNIYHOSRM-UHFFFAOYSA-N
XLogP4.25
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.72
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid (CID 155100743) is [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid is CC(C)NC(=O)Cc1ccc(-c2cnc(C3CCC(NC(=O)O)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?
The InChIKey is PJYMPQNIYHOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O5S2/c1-15(2)27-22(30)13-16-6-11-19(21(12-16)36(33,34)29-25(3,4)5)20-14-26-23(35-20)17-7-9-18(10-8-17)28-24(31)32/h6,11-12,14-15,17-18,28-29H,7-10,13H2,1-5H3,(H,27,30)(H,31,32).
What are the key properties of [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?
[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid has a molecular weight of 536.72 g/mol, XLogP of 4.25, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 155100743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).