2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide

C17H19N3O3S2 — CID 55603402

IUPAC2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-24-15-8-4-13(5-9-15)19-17(21)12-20(14-6-7-14)25(22,23)16-3-2-10-18-11-16/h2-5,8-11,14H,6-7,12H2,1H3,(H,19,21)
InChIKeyNECKKOHCBGGEOQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.60
Rot. Bonds7

About 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide

2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 55603402) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID55603402
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-24-15-8-4-13(5-9-15)19-17(21)12-20(14-6-7-14)25(22,23)16-3-2-10-18-11-16/h2-5,8-11,14H,6-7,12H2,1H3,(H,19,21)
InChIKeyNECKKOHCBGGEOQ-UHFFFAOYSA-N
XLogP2.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32892520
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 86817906
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
2-[benzenesulfonyl(cyclopropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813856
N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide
CID 55601048
S-(pyridin-3-ylmethyl) N-(4-methylsulfanylphenyl)carbamothioate
CID 88794818
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide (CID 55603402) is 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is NECKKOHCBGGEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-24-15-8-4-13(5-9-15)19-17(21)12-20(14-6-7-14)25(22,23)16-3-2-10-18-11-16/h2-5,8-11,14H,6-7,12H2,1H3,(H,19,21).
What are the key properties of 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide?
2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 55603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).