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

C19H19N3O3S2 — CID 17154150

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O3S2/c1-14-7-9-16(10-8-14)27(24,25)20-12-11-18(23)22-19-21-17(13-26-19)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,21,22,23)
InChIKeyIFHOVBUGOHVBOJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.43
Rot. Bonds7

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

3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 17154150) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID17154150
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O3S2/c1-14-7-9-16(10-8-14)27(24,25)20-12-11-18(23)22-19-21-17(13-26-19)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,21,22,23)
InChIKeyIFHOVBUGOHVBOJ-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 17154150) is 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is IFHOVBUGOHVBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-14-7-9-16(10-8-14)27(24,25)20-12-11-18(23)22-19-21-17(13-26-19)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,21,22,23).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 401.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17154150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).