N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide

C20H23NO5S — CID 40643442

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H23NO5S/c1-25-18-7-3-5-15(11-18)13-21(17-9-10-27(23,24)14-17)20(22)16-6-4-8-19(12-16)26-2/h3-8,11-12,17H,9-10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyJSIGVEJACVTLQY-QGZVFWFLSA-N
MW389.47 g/mol
LogP2.53
Rot. Bonds6

About N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 40643442) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID40643442
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H23NO5S/c1-25-18-7-3-5-15(11-18)13-21(17-9-10-27(23,24)14-17)20(22)16-6-4-8-19(12-16)26-2/h3-8,11-12,17H,9-10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyJSIGVEJACVTLQY-QGZVFWFLSA-N
XLogP2.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxybenzamide
CID 7123350
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27315976
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 7123354
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
CID 18593889
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide
CID 40643575
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
CID 3834147
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
CID 3518167
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17013291
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxybenzamide
CID 7123222
N-benzyl-3-(difluoromethoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 8781850

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide (CID 40643442) is N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is JSIGVEJACVTLQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-18-7-3-5-15(11-18)13-21(17-9-10-27(23,24)14-17)20(22)16-6-4-8-19(12-16)26-2/h3-8,11-12,17H,9-10,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 40643442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).