2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide

C20H19N3O3S2 — CID 171343778

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H19N3O3S2/c24-19(12-17-13-27-20(22-17)23-28(25,26)18-9-10-18)21-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11,13,18H,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyALJGMGMBGGYSGN-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide (PubChem CID 171343778) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
PubChem CID171343778
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H19N3O3S2/c24-19(12-17-13-27-20(22-17)23-28(25,26)18-9-10-18)21-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11,13,18H,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyALJGMGMBGGYSGN-UHFFFAOYSA-N
XLogP3.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
N-(3-chlorophenyl)-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
CID 171348556
N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 46468648
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421
N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 43055700
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide (CID 171343778) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide?
The InChIKey is ALJGMGMBGGYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-19(12-17-13-27-20(22-17)23-28(25,26)18-9-10-18)21-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11,13,18H,9-10,12H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide is sourced from PubChem (CID 171343778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).