N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide

C19H21NO3S2 — CID 51274597

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCN(C(=O)C(Sc1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S2/c1-20(16-12-13-25(22,23)14-16)19(21)18(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-11,16,18H,12-14H2,1H3
InChIKeyDWYQGZDTELOLFZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.17
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 51274597) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID51274597
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCN(C(=O)C(Sc1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S2/c1-20(16-12-13-25(22,23)14-16)19(21)18(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-11,16,18H,12-14H2,1H3
InChIKeyDWYQGZDTELOLFZ-UHFFFAOYSA-N
XLogP3.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzhydryl-[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl]azanium
CID 9445960
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 124824463
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-methylphenyl)sulfanylpropanamide
CID 60561640
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 8740701
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)-1-methylurea
CID 42885771
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 46614350
N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
CID 4055742
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-methylpropanamide
CID 41252887
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyridin-3-ylacetamide
CID 110753928
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250290
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide (CID 51274597) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide is CN(C(=O)C(Sc1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is DWYQGZDTELOLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-20(16-12-13-25(22,23)14-16)19(21)18(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-11,16,18H,12-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 375.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 51274597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).