2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide

C21H20N2O3S2 — CID 2904729

IUPAC2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S2/c22-28(25,26)19-13-11-16(12-14-19)15-23-21(24)20(17-7-3-1-4-8-17)27-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,23,24)(H2,22,25,26)
InChIKeyCOKYERIVQANYFV-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.48
Rot. Bonds7

About 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide

2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 2904729) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID2904729
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S2/c22-28(25,26)19-13-11-16(12-14-19)15-23-21(24)20(17-7-3-1-4-8-17)27-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,23,24)(H2,22,25,26)
InChIKeyCOKYERIVQANYFV-UHFFFAOYSA-N
XLogP3.48
TPSA89.26 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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 135646878
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 132953917
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4043890

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 2904729) is 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is COKYERIVQANYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c22-28(25,26)19-13-11-16(12-14-19)15-23-21(24)20(17-7-3-1-4-8-17)27-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,23,24)(H2,22,25,26).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 2904729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).