(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

C15H18ClN3O3S2 — CID 26011305

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O3S2/c1-9(2)13-8-23-15(17-13)18-14(20)10(3)19-24(21,22)12-6-4-11(16)5-7-12/h4-10,19H,1-3H3,(H,17,18,20)/t10-/m1/s1
InChIKeySVAZOPJQWDVBFL-SNVBAGLBSA-N
MW387.91 g/mol
LogP3.23
Rot. Bonds6

About (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 26011305) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID26011305
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O3S2/c1-9(2)13-8-23-15(17-13)18-14(20)10(3)19-24(21,22)12-6-4-11(16)5-7-12/h4-10,19H,1-3H3,(H,17,18,20)/t10-/m1/s1
InChIKeySVAZOPJQWDVBFL-SNVBAGLBSA-N
XLogP3.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 26011305) is (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SVAZOPJQWDVBFL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c1-9(2)13-8-23-15(17-13)18-14(20)10(3)19-24(21,22)12-6-4-11(16)5-7-12/h4-10,19H,1-3H3,(H,17,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 387.91 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 26011305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).