(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide

C16H18N2O3S — CID 122147122

IUPAC(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c1-12(17)16(19)18-15-10-6-5-7-13(15)11-22(20,21)14-8-3-2-4-9-14/h2-10,12H,11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyNHTSCOALBVEOLD-LBPRGKRZSA-N
MW318.40 g/mol
LogP1.95
Rot. Bonds5

About (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide

(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide (PubChem CID 122147122) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide
PubChem CID122147122
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c1-12(17)16(19)18-15-10-6-5-7-13(15)11-22(20,21)14-8-3-2-4-9-14/h2-10,12H,11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyNHTSCOALBVEOLD-LBPRGKRZSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
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N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
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(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
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2-amino-N-(2-methylsulfonylphenyl)propanamide
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(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
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N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
CID 119343988
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2-fluorophenyl)propanamide
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(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide (CID 122147122) is (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide is C[C@H](N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide?
The InChIKey is NHTSCOALBVEOLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12(17)16(19)18-15-10-6-5-7-13(15)11-22(20,21)14-8-3-2-4-9-14/h2-10,12H,11,17H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide?
(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide has a molecular weight of 318.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide is sourced from PubChem (CID 122147122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).