(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide

C19H21NO4S — CID 51925015

IUPAC(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4S/c1-24-17-9-7-15(8-10-17)18(14-5-3-2-4-6-14)20-19(21)16-11-12-25(22,23)13-16/h2-10,16,18H,11-13H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeyBKAXKWCAYLMVKG-WMZOPIPTSA-N
MW359.45 g/mol
LogP2.34
Rot. Bonds5

About (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 51925015) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID51925015
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4S/c1-24-17-9-7-15(8-10-17)18(14-5-3-2-4-6-14)20-19(21)16-11-12-25(22,23)13-16/h2-10,16,18H,11-13H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeyBKAXKWCAYLMVKG-WMZOPIPTSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
CID 51925014
(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
CID 26691772
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
(3S)-1,1-dioxo-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]thiolane-3-carboxamide
CID 51930137
(1R,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 124714365
(1S,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27000371
(3R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 94045256
(1S,6S)-6-[[(S)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 11893824
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide (CID 51925015) is (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide is COc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1.
What is the InChIKey of (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is BKAXKWCAYLMVKG-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-24-17-9-7-15(8-10-17)18(14-5-3-2-4-6-14)20-19(21)16-11-12-25(22,23)13-16/h2-10,16,18H,11-13H2,1H3,(H,20,21)/t16-,18-/m0/s1.
What are the key properties of (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 51925015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).