(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide

C16H18N2O3S2 — CID 1254729

IUPAC(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S2/c1-12(18-23(20,21)15-9-4-3-5-10-15)16(19)17-13-7-6-8-14(11-13)22-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyPBNXESNESSTYFZ-LBPRGKRZSA-N
MW350.47 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 1254729) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID1254729
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S2/c1-12(18-23(20,21)15-9-4-3-5-10-15)16(19)17-13-7-6-8-14(11-13)22-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyPBNXESNESSTYFZ-LBPRGKRZSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 24536242
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide (CID 1254729) is (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is PBNXESNESSTYFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12(18-23(20,21)15-9-4-3-5-10-15)16(19)17-13-7-6-8-14(11-13)22-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 350.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 1254729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).