3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide

C15H20N2O2S3 — CID 56573436

IUPAC3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide
SMILESCc1csc(Sc2ccc(NS(=O)(=O)CCC(C)C)cc2)n1
InChIInChI=1S/C15H20N2O2S3/c1-11(2)8-9-22(18,19)17-13-4-6-14(7-5-13)21-15-16-12(3)10-20-15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyJBFOHFGYPOTYKD-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.39
Rot. Bonds7

About 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide

3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide (PubChem CID 56573436) has the molecular formula C15H20N2O2S3 and a molecular weight of 356.54 g/mol. Its IUPAC name is 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide
PubChem CID56573436
Molecular FormulaC15H20N2O2S3
Molecular Weight356.54 g/mol
Exact Mass356.07
IUPAC Name3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide
SMILESCc1csc(Sc2ccc(NS(=O)(=O)CCC(C)C)cc2)n1
InChIInChI=1S/C15H20N2O2S3/c1-11(2)8-9-22(18,19)17-13-4-6-14(7-5-13)21-15-16-12(3)10-20-15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyJBFOHFGYPOTYKD-UHFFFAOYSA-N
XLogP4.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide (CID 56573436) is 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide is Cc1csc(Sc2ccc(NS(=O)(=O)CCC(C)C)cc2)n1.
What is the InChIKey of 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide?
The InChIKey is JBFOHFGYPOTYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S3/c1-11(2)8-9-22(18,19)17-13-4-6-14(7-5-13)21-15-16-12(3)10-20-15/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide?
3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide has a molecular weight of 356.54 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 56573436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).