2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide

C15H15NO3S2 — CID 68978128

IUPAC2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)C=Cc2ccsc2)c(C)c1
InChIInChI=1S/C15H15NO3S2/c1-11-3-4-14(12(2)9-11)15(17)16-21(18,19)8-6-13-5-7-20-10-13/h3-10H,1-2H3,(H,16,17)
InChIKeyUNEAJTGVCZTGQK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.10
Rot. Bonds4

About 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide

2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide (PubChem CID 68978128) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
PubChem CID68978128
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)C=Cc2ccsc2)c(C)c1
InChIInChI=1S/C15H15NO3S2/c1-11-3-4-14(12(2)9-11)15(17)16-21(18,19)8-6-13-5-7-20-10-13/h3-10H,1-2H3,(H,16,17)
InChIKeyUNEAJTGVCZTGQK-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide (CID 68978128) is 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide is Cc1ccc(C(=O)NS(=O)(=O)C=Cc2ccsc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The InChIKey is UNEAJTGVCZTGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-11-3-4-14(12(2)9-11)15(17)16-21(18,19)8-6-13-5-7-20-10-13/h3-10H,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide is sourced from PubChem (CID 68978128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).