(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide

C21H25NO4S — CID 97280000

IUPAC(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc([C@H](CC(=O)NC2CCS(=O)(=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO4S/c1-26-19-9-7-17(8-10-19)20(16-5-3-2-4-6-16)15-21(23)22-18-11-13-27(24,25)14-12-18/h2-10,18,20H,11-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyKDYJKHMEAALINM-HXUWFJFHSA-N
MW387.50 g/mol
LogP2.91
Rot. Bonds6

About (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide

(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 97280000) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID97280000
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc([C@H](CC(=O)NC2CCS(=O)(=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO4S/c1-26-19-9-7-17(8-10-19)20(16-5-3-2-4-6-16)15-21(23)22-18-11-13-27(24,25)14-12-18/h2-10,18,20H,11-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyKDYJKHMEAALINM-HXUWFJFHSA-N
XLogP2.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 97266226
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
CID 112511397
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
(3S)-3-[benzenesulfonyl(methyl)amino]-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 92647867
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
CID 51925015

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide (CID 97280000) is (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc([C@H](CC(=O)NC2CCS(=O)(=O)CC2)c2ccccc2)cc1.
What is the InChIKey of (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is KDYJKHMEAALINM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-26-19-9-7-17(8-10-19)20(16-5-3-2-4-6-16)15-21(23)22-18-11-13-27(24,25)14-12-18/h2-10,18,20H,11-15H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 387.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 97280000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).