[4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate

C36H42N4O5S — CID 90793055

IUPAC[4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate
SMILESCc1ccc(-c2ccc(C)cc2C(=O)Nc2ccc(OC(=O)NC(C)(C)C)c(CCc3csc(NC(=O)OC(C)(C)C)n3)c2)cc1
InChIInChI=1S/C36H42N4O5S/c1-22-9-12-24(13-10-22)28-17-11-23(2)19-29(28)31(41)37-26-16-18-30(44-34(43)40-35(3,4)5)25(20-26)14-15-27-21-46-32(38-27)39-33(42)45-36(6,7)8/h9-13,16-21H,14-15H2,1-8H3,(H,37,41)(H,40,43)(H,38,39,42)
InChIKeyOCEUDISAOQORAX-UHFFFAOYSA-N
MW642.82 g/mol
LogP8.70
Rot. Bonds8

About [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate

[4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate (PubChem CID 90793055) has the molecular formula C36H42N4O5S and a molecular weight of 642.82 g/mol. Its IUPAC name is [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate
PubChem CID90793055
Molecular FormulaC36H42N4O5S
Molecular Weight642.82 g/mol
Exact Mass642.29
IUPAC Name[4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate
SMILESCc1ccc(-c2ccc(C)cc2C(=O)Nc2ccc(OC(=O)NC(C)(C)C)c(CCc3csc(NC(=O)OC(C)(C)C)n3)c2)cc1
InChIInChI=1S/C36H42N4O5S/c1-22-9-12-24(13-10-22)28-17-11-23(2)19-29(28)31(41)37-26-16-18-30(44-34(43)40-35(3,4)5)25(20-26)14-15-27-21-46-32(38-27)39-33(42)45-36(6,7)8/h9-13,16-21H,14-15H2,1-8H3,(H,37,41)(H,40,43)(H,38,39,42)
InChIKeyOCEUDISAOQORAX-UHFFFAOYSA-N
XLogP8.70
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.82
LogP ≤ 58.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[[2-(4-methylphenyl)cyclohexene-1-carbonyl]amino]-2-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]ethyl]phenyl] N-tert-butylcarbamate
CID 90852265
[4-[[2-(4-chlorophenyl)-4-methylbenzoyl]amino]phenyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]carbamic acid
CID 87999519
tert-butyl N-[4-[[2-(4-chlorophenyl)-4-methylbenzoyl]amino]phenyl]-N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]carbamate
CID 87999423
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040
methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
CID 87420278
tert-butyl N-[4-[2-(4-nitroanilino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 86591520
tert-butyl N-[[4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-2-ethylphenoxy]carbonylamino]carbamate
CID 87522981
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[4-[4-[[2-(4-methoxyanilino)acetyl]amino]phenyl]-1,3-thiazol-2-yl]carbamate
CID 87952172
(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
CID 143234813

Frequently Asked Questions

What is the IUPAC name of [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate?
The IUPAC name of [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate (CID 90793055) is [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate?
The canonical SMILES for [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate is Cc1ccc(-c2ccc(C)cc2C(=O)Nc2ccc(OC(=O)NC(C)(C)C)c(CCc3csc(NC(=O)OC(C)(C)C)n3)c2)cc1.
What is the InChIKey of [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate?
The InChIKey is OCEUDISAOQORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N4O5S/c1-22-9-12-24(13-10-22)28-17-11-23(2)19-29(28)31(41)37-26-16-18-30(44-34(43)40-35(3,4)5)25(20-26)14-15-27-21-46-32(38-27)39-33(42)45-36(6,7)8/h9-13,16-21H,14-15H2,1-8H3,(H,37,41)(H,40,43)(H,38,39,42).
What are the key properties of [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate?
[4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate has a molecular weight of 642.82 g/mol, XLogP of 8.70, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-methyl-2-(4-methylphenyl)benzoyl]amino]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]ethyl]phenyl] N-tert-butylcarbamate is sourced from PubChem (CID 90793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).