N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C18H20N2O2S3 — CID 50839138

IUPACN-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1
InChIInChI=1S/C18H20N2O2S3/c1-12(2)8-15-11-24-18(19-15)14-9-17(23-10-14)25(21,22)20-16-7-5-4-6-13(16)3/h4-7,9-12,20H,8H2,1-3H3
InChIKeyPOGOKWQDJMJZJW-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.18
Rot. Bonds6

About N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 50839138) has the molecular formula C18H20N2O2S3 and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID50839138
Molecular FormulaC18H20N2O2S3
Molecular Weight392.57 g/mol
Exact Mass392.07
IUPAC NameN-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1
InChIInChI=1S/C18H20N2O2S3/c1-12(2)8-15-11-24-18(19-15)14-9-17(23-10-14)25(21,22)20-16-7-5-4-6-13(16)3/h4-7,9-12,20H,8H2,1-3H3
InChIKeyPOGOKWQDJMJZJW-UHFFFAOYSA-N
XLogP5.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 50839138) is N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is POGOKWQDJMJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S3/c1-12(2)8-15-11-24-18(19-15)14-9-17(23-10-14)25(21,22)20-16-7-5-4-6-13(16)3/h4-7,9-12,20H,8H2,1-3H3.
What are the key properties of N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 50839138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).