[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid

C16H26N2O6S — CID 142824566

IUPAC[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid
SMILESCOc1ccc(S(=O)(=O)N(CC[C@H](CO)NC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H26N2O6S/c1-12(2)10-18(9-8-13(11-19)17-16(20)21)25(22,23)15-6-4-14(24-3)5-7-15/h4-7,12-13,17,19H,8-11H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyNIPSHCGDNWOGQY-CYBMUJFWSA-N
MW374.46 g/mol
LogP1.36
Rot. Bonds10

About [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid

[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid (PubChem CID 142824566) has the molecular formula C16H26N2O6S and a molecular weight of 374.46 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid
PubChem CID142824566
Molecular FormulaC16H26N2O6S
Molecular Weight374.46 g/mol
Exact Mass374.15
IUPAC Name[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid
SMILESCOc1ccc(S(=O)(=O)N(CC[C@H](CO)NC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H26N2O6S/c1-12(2)10-18(9-8-13(11-19)17-16(20)21)25(22,23)15-6-4-14(24-3)5-7-15/h4-7,12-13,17,19H,8-11H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyNIPSHCGDNWOGQY-CYBMUJFWSA-N
XLogP1.36
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]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

Related Compounds

tert-butyl N-[(2S)-4-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-1-hydroxybutan-2-yl]carbamate
CID 59722480
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4625146
benzyl-[(3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 57273465
benzyl-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 23385512
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S)-1-(4-formylphenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamate
CID 89441409
methyl 3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61114911
N-[(2S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 54511026
2-(2,6-dimethylphenoxy)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]acetamide
CID 5276500
benzyl N-[3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-oxopropyl]carbamate
CID 134877448
(3S)-4-[[(2R,3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid
CID 10053249
tert-butyl N-[(2R,3S)-3-(methoxycarbonylamino)-1-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-phenylbutan-2-yl]carbamate
CID 70308238

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid (CID 142824566) is [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid is COc1ccc(S(=O)(=O)N(CC[C@H](CO)NC(=O)O)CC(C)C)cc1.
What is the InChIKey of [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid?
The InChIKey is NIPSHCGDNWOGQY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O6S/c1-12(2)10-18(9-8-13(11-19)17-16(20)21)25(22,23)15-6-4-14(24-3)5-7-15/h4-7,12-13,17,19H,8-11H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid?
[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid has a molecular weight of 374.46 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid is sourced from PubChem (CID 142824566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).