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

C16H18N2O3S2 — CID 1254732

IUPAC(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c1-12(18-23(20,21)13-8-4-3-5-9-13)16(19)17-14-10-6-7-11-15(14)22-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyPKWCFEIJQAAPHR-LBPRGKRZSA-N
MW350.47 g/mol
LogP2.71
Rot. Bonds6

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

(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 1254732) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID1254732
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c1-12(18-23(20,21)13-8-4-3-5-9-13)16(19)17-14-10-6-7-11-15(14)22-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyPKWCFEIJQAAPHR-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-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
CID 86826290
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
2-[(4-acetylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408013
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide (CID 1254732) is (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is PKWCFEIJQAAPHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12(18-23(20,21)13-8-4-3-5-9-13)16(19)17-14-10-6-7-11-15(14)22-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(2-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-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 1254732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).