2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide

C20H18N4O3S2 — CID 155379103

IUPAC2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide
SMILESCc1ncccc1-c1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3=CC3)n2)cc1
InChIInChI=1S/C20H18N4O3S2/c1-13-18(3-2-10-21-13)14-4-6-15(7-5-14)22-19(25)11-16-12-28-20(23-16)24-29(26,27)17-8-9-17/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyFRUGTDHZBIYMDV-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.72
Rot. Bonds7

About 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide

2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide (PubChem CID 155379103) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide
PubChem CID155379103
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Name2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide
SMILESCc1ncccc1-c1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3=CC3)n2)cc1
InChIInChI=1S/C20H18N4O3S2/c1-13-18(3-2-10-21-13)14-4-6-15(7-5-14)22-19(25)11-16-12-28-20(23-16)24-29(26,27)17-8-9-17/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyFRUGTDHZBIYMDV-UHFFFAOYSA-N
XLogP3.72
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 44922574
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide (CID 155379103) is 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide is Cc1ncccc1-c1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3=CC3)n2)cc1.
What is the InChIKey of 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide?
The InChIKey is FRUGTDHZBIYMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13-18(3-2-10-21-13)14-4-6-15(7-5-14)22-19(25)11-16-12-28-20(23-16)24-29(26,27)17-8-9-17/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide?
2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 155379103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).