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

C14H20N2O2S3 — CID 46392947

IUPAC2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)n1
InChIInChI=1S/C14H20N2O2S3/c1-9(2)5-6-15-21(17,18)13-7-12(20-11(13)4)14-16-10(3)8-19-14/h7-9,15H,5-6H2,1-4H3
InChIKeyVOOTVEDWYIREJV-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.81
Rot. Bonds6

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

2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 46392947) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID46392947
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC Name2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)n1
InChIInChI=1S/C14H20N2O2S3/c1-9(2)5-6-15-21(17,18)13-7-12(20-11(13)4)14-16-10(3)8-19-14/h7-9,15H,5-6H2,1-4H3
InChIKeyVOOTVEDWYIREJV-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 46392947) is 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)n1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is VOOTVEDWYIREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-9(2)5-6-15-21(17,18)13-7-12(20-11(13)4)14-16-10(3)8-19-14/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 46392947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).