N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide

C19H21NO3S — CID 134012964

IUPACN-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S/c21-19(17-11-12-24(22,23)14-17)20-13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,20,21)
InChIKeySKGCEVXXBZDVPL-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.37
Rot. Bonds5

About N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide

N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 134012964) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID134012964
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S/c21-19(17-11-12-24(22,23)14-17)20-13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,20,21)
InChIKeySKGCEVXXBZDVPL-UHFFFAOYSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
CID 26691772
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 51924941
2-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220299
(2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 93306016
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
N-(benzhydrylideneamino)-1,1-dioxothiolane-3-carboxamide
CID 134044533
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 77050060
N-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 107231377

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide (CID 134012964) is N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is SKGCEVXXBZDVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-19(17-11-12-24(22,23)14-17)20-13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,20,21).
What are the key properties of N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide?
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 134012964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).