5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide

C17H17NO2S3 — CID 67283189

IUPAC5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide
SMILESCc1cc(-c2ccc(C)c(NS(=O)(=O)c3csc(C)c3)c2)cs1
InChIInChI=1S/C17H17NO2S3/c1-11-4-5-14(15-6-12(2)21-9-15)8-17(11)18-23(19,20)16-7-13(3)22-10-16/h4-10,18H,1-3H3
InChIKeyUFINQAISNMLSTE-UHFFFAOYSA-N
MW363.53 g/mol
LogP5.20
Rot. Bonds4

About 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide

5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide (PubChem CID 67283189) has the molecular formula C17H17NO2S3 and a molecular weight of 363.53 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide
PubChem CID67283189
Molecular FormulaC17H17NO2S3
Molecular Weight363.53 g/mol
Exact Mass363.04
IUPAC Name5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide
SMILESCc1cc(-c2ccc(C)c(NS(=O)(=O)c3csc(C)c3)c2)cs1
InChIInChI=1S/C17H17NO2S3/c1-11-4-5-14(15-6-12(2)21-9-15)8-17(11)18-23(19,20)16-7-13(3)22-10-16/h4-10,18H,1-3H3
InChIKeyUFINQAISNMLSTE-UHFFFAOYSA-N
XLogP5.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide (CID 67283189) is 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide is Cc1cc(-c2ccc(C)c(NS(=O)(=O)c3csc(C)c3)c2)cs1.
What is the InChIKey of 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide?
The InChIKey is UFINQAISNMLSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S3/c1-11-4-5-14(15-6-12(2)21-9-15)8-17(11)18-23(19,20)16-7-13(3)22-10-16/h4-10,18H,1-3H3.
What are the key properties of 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide?
5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide has a molecular weight of 363.53 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 67283189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).