(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide

C19H21NO3S — CID 95149760

IUPAC(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-19(16-8-4-2-5-9-16,17-10-6-3-7-11-17)20-18(21)15-12-13-24(22,23)14-15/h2-11,15H,12-14H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyZUOCPIIIBNIPNI-HNNXBMFYSA-N
MW343.45 g/mol
LogP2.50
Rot. Bonds4

About (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide

(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 95149760) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID95149760
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-19(16-8-4-2-5-9-16,17-10-6-3-7-11-17)20-18(21)15-12-13-24(22,23)14-15/h2-11,15H,12-14H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyZUOCPIIIBNIPNI-HNNXBMFYSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474
(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
CID 26691772
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
N-(benzhydrylideneamino)-1,1-dioxothiolane-3-carboxamide
CID 134044533
N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 75424723
(3S)-N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 97319934
(3R)-N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 97319936
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 77050135
(2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 93306016

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide (CID 95149760) is (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide is CC(NC(=O)[C@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is ZUOCPIIIBNIPNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-19(16-8-4-2-5-9-16,17-10-6-3-7-11-17)20-18(21)15-12-13-24(22,23)14-15/h2-11,15H,12-14H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 95149760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).