2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C14H18N4O3S — CID 168522127

IUPAC2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1
InChIInChI=1S/C14H18N4O3S/c1-17-7-9-18(10-8-17)22(20,21)13-4-2-3-12(11-13)16-14(19)5-6-15/h2-4,11H,5,7-10H2,1H3,(H,16,19)
InChIKeyRWNHZDHQRDJKDX-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.47
Rot. Bonds4

About 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 168522127) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID168522127
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1
InChIInChI=1S/C14H18N4O3S/c1-17-7-9-18(10-8-17)22(20,21)13-4-2-3-12(11-13)16-14(19)5-6-15/h2-4,11H,5,7-10H2,1H3,(H,16,19)
InChIKeyRWNHZDHQRDJKDX-UHFFFAOYSA-N
XLogP0.47
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523033
potassium;3-[(2-cyanoacetyl)amino]benzenesulfonic acid;hydride
CID 173377668
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide
CID 9495978
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 60582181
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 168522127) is 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1.
What is the InChIKey of 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is RWNHZDHQRDJKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-17-7-9-18(10-8-17)22(20,21)13-4-2-3-12(11-13)16-14(19)5-6-15/h2-4,11H,5,7-10H2,1H3,(H,16,19).
What are the key properties of 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 168522127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).