2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide

C18H16ClN3O3S2 — CID 18571922

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-12-3-2-4-14(9-12)20-17(23)10-15-11-26-18(21-15)22-27(24,25)16-7-5-13(19)6-8-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKSTRUHXCKVXVPQ-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.09
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide

2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide (PubChem CID 18571922) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide
PubChem CID18571922
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-12-3-2-4-14(9-12)20-17(23)10-15-11-26-18(21-15)22-27(24,25)16-7-5-13(19)6-8-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKSTRUHXCKVXVPQ-UHFFFAOYSA-N
XLogP4.09
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide (CID 18571922) is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KSTRUHXCKVXVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-12-3-2-4-14(9-12)20-17(23)10-15-11-26-18(21-15)22-27(24,25)16-7-5-13(19)6-8-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide?
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 421.93 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18571922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).