1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

C16H23N3O4S — CID 1072979

IUPAC1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-12-3-5-14(6-4-12)24(22,23)18(2)11-15(20)19-9-7-13(8-10-19)16(17)21/h3-6,13H,7-11H2,1-2H3,(H2,17,21)
InChIKeyXYDISNOFPFWEDN-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.34
Rot. Bonds5

About 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (PubChem CID 1072979) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
PubChem CID1072979
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-12-3-5-14(6-4-12)24(22,23)18(2)11-15(20)19-9-7-13(8-10-19)16(17)21/h3-6,13H,7-11H2,1-2H3,(H2,17,21)
InChIKeyXYDISNOFPFWEDN-UHFFFAOYSA-N
XLogP0.34
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (CID 1072979) is 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is XYDISNOFPFWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12-3-5-14(6-4-12)24(22,23)18(2)11-15(20)19-9-7-13(8-10-19)16(17)21/h3-6,13H,7-11H2,1-2H3,(H2,17,21).
What are the key properties of 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1072979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).