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

C18H19NO3S — CID 26691772

IUPAC(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO3S/c20-18(16-11-12-23(21,22)13-16)19-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20)/t16-/m0/s1
InChIKeyNBCXXTNCRPMOCY-INIZCTEOSA-N
MW329.42 g/mol
LogP2.33
Rot. Bonds4

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

(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide (PubChem CID 26691772) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
PubChem CID26691772
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO3S/c20-18(16-11-12-23(21,22)13-16)19-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20)/t16-/m0/s1
InChIKeyNBCXXTNCRPMOCY-INIZCTEOSA-N
XLogP2.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
CID 51925015
(3R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
CID 51925014
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 77050060
(3S)-1,1-dioxo-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]thiolane-3-carboxamide
CID 51930137
(2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 93306016
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
ethyl (2R)-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-3-phenylpropanoate
CID 94645730
ethyl 2-[(1,1-dioxothiolane-3-carbonyl)amino]-3-phenylpropanoate
CID 47071341
(3R)-1,1-dioxo-N-[(1S)-1-pyridin-2-ylethyl]thiolane-3-carboxamide
CID 39996283

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide (CID 26691772) is (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is NBCXXTNCRPMOCY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(16-11-12-23(21,22)13-16)19-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20)/t16-/m0/s1.
What are the key properties of (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide?
(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 26691772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).