2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C15H19N3O3S — CID 168523258

IUPAC2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CC#N)cc2)CC1
InChIInChI=1S/C15H19N3O3S/c1-12-7-10-18(11-8-12)22(20,21)14-4-2-13(3-5-14)17-15(19)6-9-16/h2-5,12H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyRCMHKEMXWDPQMW-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.96
Rot. Bonds4

About 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 168523258) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID168523258
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CC#N)cc2)CC1
InChIInChI=1S/C15H19N3O3S/c1-12-7-10-18(11-8-12)22(20,21)14-4-2-13(3-5-14)17-15(19)6-9-16/h2-5,12H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyRCMHKEMXWDPQMW-UHFFFAOYSA-N
XLogP1.96
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523033
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
CID 7368663
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 168523258) is 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CC#N)cc2)CC1.
What is the InChIKey of 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is RCMHKEMXWDPQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-7-10-18(11-8-12)22(20,21)14-4-2-13(3-5-14)17-15(19)6-9-16/h2-5,12H,6-8,10-11H2,1H3,(H,17,19).
What are the key properties of 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 168523258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).