N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide

C20H21NO4S — CID 18888026

IUPACN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(c2ccc(C)c(C)c2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C20H21NO4S/c1-14-4-7-17(12-15(14)2)21(18-10-11-26(23,24)13-18)20(22)16-5-8-19(25-3)9-6-16/h4-12,18H,13H2,1-3H3
InChIKeyUQYZCWSOAHQVRR-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.27
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide

N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide (PubChem CID 18888026) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide
PubChem CID18888026
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC NameN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(c2ccc(C)c(C)c2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C20H21NO4S/c1-14-4-7-17(12-15(14)2)21(18-10-11-26(23,24)13-18)20(22)16-5-8-19(25-3)9-6-16/h4-12,18H,13H2,1-3H3
InChIKeyUQYZCWSOAHQVRR-UHFFFAOYSA-N
XLogP3.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide (CID 18888026) is N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)N(c2ccc(C)c(C)c2)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide?
The InChIKey is UQYZCWSOAHQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-14-4-7-17(12-15(14)2)21(18-10-11-26(23,24)13-18)20(22)16-5-8-19(25-3)9-6-16/h4-12,18H,13H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide?
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 18888026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).