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

C18H17N3O3S2 — CID 70789407

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-7-9-15(10-8-13)26(23,24)19-11-17(22)21-18-20-16(12-25-18)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3,(H,20,21,22)
InChIKeyHCJDDYSRPDPOEJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.04
Rot. Bonds6

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

2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 70789407) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID70789407
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-7-9-15(10-8-13)26(23,24)19-11-17(22)21-18-20-16(12-25-18)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3,(H,20,21,22)
InChIKeyHCJDDYSRPDPOEJ-UHFFFAOYSA-N
XLogP3.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 70789407) is 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HCJDDYSRPDPOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-13-7-9-15(10-8-13)26(23,24)19-11-17(22)21-18-20-16(12-25-18)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3,(H,20,21,22).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 70789407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).