2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide

C19H24N2O2S — CID 119789921

IUPAC2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2S/c1-3-12-19(2,20)18(22)21-16-9-7-8-15(13-16)14-24(23)17-10-5-4-6-11-17/h4-11,13H,3,12,14,20H2,1-2H3,(H,21,22)
InChIKeyUNPYDLGDPCXSBB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.45
Rot. Bonds7

About 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide

2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide (PubChem CID 119789921) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
PubChem CID119789921
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2S/c1-3-12-19(2,20)18(22)21-16-9-7-8-15(13-16)14-24(23)17-10-5-4-6-11-17/h4-11,13H,3,12,14,20H2,1-2H3,(H,21,22)
InChIKeyUNPYDLGDPCXSBB-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzenesulfinylmethyl)phenyl]acetamide
CID 166180703
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
CID 119790069
1-tert-butyl-3-[3-[[(S)-phenylsulfinyl]methyl]phenyl]urea
CID 95975369
5-[3-(benzenesulfinylmethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119133863
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
3-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylbutanamide
CID 120501046
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide (CID 119789921) is 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cccc(CS(=O)c2ccccc2)c1.
What is the InChIKey of 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide?
The InChIKey is UNPYDLGDPCXSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-12-19(2,20)18(22)21-16-9-7-8-15(13-16)14-24(23)17-10-5-4-6-11-17/h4-11,13H,3,12,14,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide?
2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide has a molecular weight of 344.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 119789921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).