2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C24H24N2O3S2 — CID 2928700

IUPAC2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O3S2/c27-24(23(19-9-3-1-4-10-19)30-21-11-5-2-6-12-21)25-20-13-15-22(16-14-20)31(28,29)26-17-7-8-18-26/h1-6,9-16,23H,7-8,17-18H2,(H,25,27)
InChIKeyZFQPDUGDFQFUFC-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.94
Rot. Bonds7

About 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 2928700) has the molecular formula C24H24N2O3S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID2928700
Molecular FormulaC24H24N2O3S2
Molecular Weight452.60 g/mol
Exact Mass452.12
IUPAC Name2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O3S2/c27-24(23(19-9-3-1-4-10-19)30-21-11-5-2-6-12-21)25-20-13-15-22(16-14-20)31(28,29)26-17-7-8-18-26/h1-6,9-16,23H,7-8,17-18H2,(H,25,27)
InChIKeyZFQPDUGDFQFUFC-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1320672
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2932332
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 17311826
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 25440580
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
CID 2210421
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7284377
2-(4-bromophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4821866
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 30857945

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 2928700) is 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZFQPDUGDFQFUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S2/c27-24(23(19-9-3-1-4-10-19)30-21-11-5-2-6-12-21)25-20-13-15-22(16-14-20)31(28,29)26-17-7-8-18-26/h1-6,9-16,23H,7-8,17-18H2,(H,25,27).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 452.60 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2928700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).