2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C16H17Cl2N3O3S2 — CID 3663546

IUPAC2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN(C2CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)sc1C
InChIInChI=1S/C16H17Cl2N3O3S2/c1-9-10(2)25-16(19-9)20-15(22)8-21(12-4-5-12)26(23,24)14-7-11(17)3-6-13(14)18/h3,6-7,12H,4-5,8H2,1-2H3,(H,19,20,22)
InChIKeyXXZIOTWPNLICDM-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.86
Rot. Bonds6

About 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3663546) has the molecular formula C16H17Cl2N3O3S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID3663546
Molecular FormulaC16H17Cl2N3O3S2
Molecular Weight434.37 g/mol
Exact Mass433.01
IUPAC Name2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN(C2CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)sc1C
InChIInChI=1S/C16H17Cl2N3O3S2/c1-9-10(2)25-16(19-9)20-15(22)8-21(12-4-5-12)26(23,24)14-7-11(17)3-6-13(14)18/h3,6-7,12H,4-5,8H2,1-2H3,(H,19,20,22)
InChIKeyXXZIOTWPNLICDM-UHFFFAOYSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)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-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 3663546) is 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CN(C2CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)sc1C.
What is the InChIKey of 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XXZIOTWPNLICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S2/c1-9-10(2)25-16(19-9)20-15(22)8-21(12-4-5-12)26(23,24)14-7-11(17)3-6-13(14)18/h3,6-7,12H,4-5,8H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 434.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3663546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).