N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide

C19H18ClNO3S — CID 2981379

IUPACN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H18ClNO3S/c1-13-3-4-15(11-14(13)2)19(22)21(17-7-5-16(20)6-8-17)18-9-10-25(23,24)12-18/h3-11,18H,12H2,1-2H3
InChIKeySIKQUSHCHXGBKP-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.91
Rot. Bonds3

About N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide

N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide (PubChem CID 2981379) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
PubChem CID2981379
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H18ClNO3S/c1-13-3-4-15(11-14(13)2)19(22)21(17-7-5-16(20)6-8-17)18-9-10-25(23,24)12-18/h3-11,18H,12H2,1-2H3
InChIKeySIKQUSHCHXGBKP-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 N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide (CID 2981379) is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)N(c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide?
The InChIKey is SIKQUSHCHXGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-13-3-4-15(11-14(13)2)19(22)21(17-7-5-16(20)6-8-17)18-9-10-25(23,24)12-18/h3-11,18H,12H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide?
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide 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 N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 2981379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).