2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide

C20H23NO5S — CID 9370055

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)C[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1
InChIInChI=1S/C20H23NO5S/c1-25-17-6-3-15(4-7-17)18-12-16(5-8-19(18)26-2)21-20(22)11-14-9-10-27(23,24)13-14/h3-8,12,14H,9-11,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeySHLPZADEECGVRH-CQSZACIVSA-N
MW389.47 g/mol
LogP3.13
Rot. Bonds6

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide (PubChem CID 9370055) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
PubChem CID9370055
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)C[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1
InChIInChI=1S/C20H23NO5S/c1-25-17-6-3-15(4-7-17)18-12-16(5-8-19(18)26-2)21-20(22)11-14-9-10-27(23,24)13-14/h3-8,12,14H,9-11,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeySHLPZADEECGVRH-CQSZACIVSA-N
XLogP3.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 9370015
N-(4-amino-3-methoxyphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 61239465
N-(3,4-dimethoxyphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 84577292
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 9043155
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 9047493
2-(4-ethoxyphenoxy)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745409
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 16590105
butyl 4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoate
CID 7223083

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide (CID 9370055) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide is COc1ccc(-c2cc(NC(=O)C[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The InChIKey is SHLPZADEECGVRH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-17-6-3-15(4-7-17)18-12-16(5-8-19(18)26-2)21-20(22)11-14-9-10-27(23,24)13-14/h3-8,12,14H,9-11,13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 9370055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).