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

C21H20N2O3S2 — CID 1008106

IUPAC(2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H20N2O3S2/c1-16(23-28(25,26)18-12-6-3-7-13-18)21(24)22-19-14-8-9-15-20(19)27-17-10-4-2-5-11-17/h2-16,23H,1H3,(H,22,24)/t16-/m0/s1
InChIKeyRPDBVGNMQOCIMG-INIZCTEOSA-N
MW412.54 g/mol
LogP4.14
Rot. Bonds7

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

(2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 1008106) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID1008106
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H20N2O3S2/c1-16(23-28(25,26)18-12-6-3-7-13-18)21(24)22-19-14-8-9-15-20(19)27-17-10-4-2-5-11-17/h2-16,23H,1H3,(H,22,24)/t16-/m0/s1
InChIKeyRPDBVGNMQOCIMG-INIZCTEOSA-N
XLogP4.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide (CID 1008106) is (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is RPDBVGNMQOCIMG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-16(23-28(25,26)18-12-6-3-7-13-18)21(24)22-19-14-8-9-15-20(19)27-17-10-4-2-5-11-17/h2-16,23H,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 412.54 g/mol, XLogP of 4.14, 7 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-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 1008106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).