2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide

C19H18FN3O3S — CID 60522802

IUPAC2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C19H18FN3O3S/c20-18-4-2-1-3-15(18)12-22-19(24)13-23(16-7-8-16)27(25,26)17-9-5-14(11-21)6-10-17/h1-6,9-10,16H,7-8,12-13H2,(H,22,24)
InChIKeyWOYJXPDYFOPKHU-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.17
Rot. Bonds7

About 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide

2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 60522802) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID60522802
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C19H18FN3O3S/c20-18-4-2-1-3-15(18)12-22-19(24)13-23(16-7-8-16)27(25,26)17-9-5-14(11-21)6-10-17/h1-6,9-10,16H,7-8,12-13H2,(H,22,24)
InChIKeyWOYJXPDYFOPKHU-UHFFFAOYSA-N
XLogP2.17
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522679
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522633
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide (CID 60522802) is 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide is N#Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2F)C2CC2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is WOYJXPDYFOPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-18-4-2-1-3-15(18)12-22-19(24)13-23(16-7-8-16)27(25,26)17-9-5-14(11-21)6-10-17/h1-6,9-10,16H,7-8,12-13H2,(H,22,24).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60522802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).