(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide

C18H29NO4S — CID 167764822

IUPAC(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](O)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO4S/c1-6-13(2)16(20)17(21)19-11-12-24(22,23)15-9-7-14(8-10-15)18(3,4)5/h7-10,13,16,20H,6,11-12H2,1-5H3,(H,19,21)/t13-,16-/m0/s1
InChIKeyHFFTYJBLYICPFD-BBRMVZONSA-N
MW355.50 g/mol
LogP2.28
Rot. Bonds7

About (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide

(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide (PubChem CID 167764822) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
PubChem CID167764822
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](O)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO4S/c1-6-13(2)16(20)17(21)19-11-12-24(22,23)15-9-7-14(8-10-15)18(3,4)5/h7-10,13,16,20H,6,11-12H2,1-5H3,(H,19,21)/t13-,16-/m0/s1
InChIKeyHFFTYJBLYICPFD-BBRMVZONSA-N
XLogP2.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide 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

(2S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylsulfanylpropanamide
CID 95305165
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 124735778
tert-butyl N-[2-(4-methylphenyl)sulfonylethyl]carbamate
CID 67213765
1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759721
2-(4-tert-butylphenyl)sulfonylpentan-3-ol
CID 106585369
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide?
The IUPAC name of (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide (CID 167764822) is (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide?
The canonical SMILES for (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide is CC[C@H](C)[C@H](O)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide?
The InChIKey is HFFTYJBLYICPFD-BBRMVZONSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-6-13(2)16(20)17(21)19-11-12-24(22,23)15-9-7-14(8-10-15)18(3,4)5/h7-10,13,16,20H,6,11-12H2,1-5H3,(H,19,21)/t13-,16-/m0/s1.
What are the key properties of (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide?
(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide has a molecular weight of 355.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide is sourced from PubChem (CID 167764822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).