N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C16H16N2O2S3 — CID 2795735

IUPACN-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)c1
InChIInChI=1S/C16H16N2O2S3/c1-10-4-5-13(11(2)8-10)18-23(19,20)16-7-6-15(22-16)14-9-21-12(3)17-14/h4-9,18H,1-3H3
InChIKeyNKMAURKPBMOWRO-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.60
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 2795735) has the molecular formula C16H16N2O2S3 and a molecular weight of 364.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID2795735
Molecular FormulaC16H16N2O2S3
Molecular Weight364.52 g/mol
Exact Mass364.04
IUPAC NameN-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)c1
InChIInChI=1S/C16H16N2O2S3/c1-10-4-5-13(11(2)8-10)18-23(19,20)16-7-6-15(22-16)14-9-21-12(3)17-14/h4-9,18H,1-3H3
InChIKeyNKMAURKPBMOWRO-UHFFFAOYSA-N
XLogP4.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 2795735) is N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is NKMAURKPBMOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S3/c1-10-4-5-13(11(2)8-10)18-23(19,20)16-7-6-15(22-16)14-9-21-12(3)17-14/h4-9,18H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 364.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2795735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).