(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide

C19H25N3O3S — CID 119745106

IUPAC(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)12-17(20)19(23)21-13-15-8-6-7-11-18(15)22-26(24,25)16-9-4-3-5-10-16/h3-11,14,17,22H,12-13,20H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyUBNBWJSXQQXLHS-KRWDZBQOSA-N
MW375.49 g/mol
LogP2.48
Rot. Bonds8

About (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide

(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide (PubChem CID 119745106) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
PubChem CID119745106
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)12-17(20)19(23)21-13-15-8-6-7-11-18(15)22-26(24,25)16-9-4-3-5-10-16/h3-11,14,17,22H,12-13,20H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyUBNBWJSXQQXLHS-KRWDZBQOSA-N
XLogP2.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
(2S)-2-amino-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 110482526
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745081
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide (CID 119745106) is (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide?
The InChIKey is UBNBWJSXQQXLHS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)12-17(20)19(23)21-13-15-8-6-7-11-18(15)22-26(24,25)16-9-4-3-5-10-16/h3-11,14,17,22H,12-13,20H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide has a molecular weight of 375.49 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 119745106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).