2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide

C17H18N2O4S2 — CID 7747387

IUPAC2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-13-7-9-15(10-8-13)25(22,23)19-17(21)12-24-11-16(20)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyLTDBEWIJEUHHED-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 7747387) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID7747387
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-13-7-9-15(10-8-13)25(22,23)19-17(21)12-24-11-16(20)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyLTDBEWIJEUHHED-UHFFFAOYSA-N
XLogP2.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-(3-cyanopropylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 96695390
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 60575698
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40915331

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 7747387) is 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide is Cc1ccc(S(=O)(=O)NC(=O)CSCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is LTDBEWIJEUHHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-13-7-9-15(10-8-13)25(22,23)19-17(21)12-24-11-16(20)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 378.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 7747387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).