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

C19H18ClNO3S — CID 43954753

IUPAC2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2Cl)C2C=CS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H18ClNO3S/c1-13-7-8-15(11-14(13)2)21(16-9-10-25(23,24)12-16)19(22)17-5-3-4-6-18(17)20/h3-11,16H,12H2,1-2H3
InChIKeyHKWFWBQQABOQSD-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.91
Rot. Bonds3

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

2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide (PubChem CID 43954753) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
PubChem CID43954753
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2Cl)C2C=CS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H18ClNO3S/c1-13-7-8-15(11-14(13)2)21(16-9-10-25(23,24)12-16)19(22)17-5-3-4-6-18(17)20/h3-11,16H,12H2,1-2H3
InChIKeyHKWFWBQQABOQSD-UHFFFAOYSA-N
XLogP3.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide (CID 43954753) is 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide is Cc1ccc(N(C(=O)c2ccccc2Cl)C2C=CS(=O)(=O)C2)cc1C.
What is the InChIKey of 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The InChIKey is HKWFWBQQABOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-13-7-8-15(11-14(13)2)21(16-9-10-25(23,24)12-16)19(22)17-5-3-4-6-18(17)20/h3-11,16H,12H2,1-2H3.
What are the key properties of 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide has a molecular weight of 375.88 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide is sourced from PubChem (CID 43954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).