N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

C20H23NO5S — CID 662928

IUPACN-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccccc2OC)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H23NO5S/c1-25-17-9-7-15(8-10-17)13-21(16-11-12-27(23,24)14-16)20(22)18-5-3-4-6-19(18)26-2/h3-10,16H,11-14H2,1-2H3
InChIKeyPBRXRDHAQNDLFS-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.53
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 662928) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID662928
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccccc2OC)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H23NO5S/c1-25-17-9-7-15(8-10-17)13-21(16-11-12-27(23,24)14-16)20(22)18-5-3-4-6-19(18)26-2/h3-10,16H,11-14H2,1-2H3
InChIKeyPBRXRDHAQNDLFS-UHFFFAOYSA-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

Analyze N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide with MolForge

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Related Compounds

Sultopride
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 662928) is N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2ccccc2OC)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is PBRXRDHAQNDLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-17-9-7-15(8-10-17)13-21(16-11-12-27(23,24)14-16)20(22)18-5-3-4-6-19(18)26-2/h3-10,16H,11-14H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-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-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 662928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).