2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide

C18H19NO3S2 — CID 3164029

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO3S2/c20-18(12-23-15-10-11-24(21,22)13-15)19-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,19,20)
InChIKeyLWYXOHGJUUFRGA-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.21
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide (PubChem CID 3164029) has the molecular formula C18H19NO3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide
PubChem CID3164029
Molecular FormulaC18H19NO3S2
Molecular Weight361.49 g/mol
Exact Mass361.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO3S2/c20-18(12-23-15-10-11-24(21,22)13-15)19-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,19,20)
InChIKeyLWYXOHGJUUFRGA-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 47115488
N-(5-chloro-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 47115521
4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82878076
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8668193
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzamide
CID 9044427
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 78812996
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 52513872
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9043887
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 8736243
4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
CID 63651416

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide (CID 3164029) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide is O=C(CSC1CCS(=O)(=O)C1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The InChIKey is LWYXOHGJUUFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S2/c20-18(12-23-15-10-11-24(21,22)13-15)19-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,19,20).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 3164029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).