1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide

C17H25N3O5S — CID 1095809

IUPAC1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O5S/c1-12-4-5-14(25-3)15(10-12)26(23,24)19(2)11-16(21)20-8-6-13(7-9-20)17(18)22/h4-5,10,13H,6-9,11H2,1-3H3,(H2,18,22)
InChIKeyANOCCRDPLDJYNB-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.35
Rot. Bonds6

About 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide

1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide (PubChem CID 1095809) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
PubChem CID1095809
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O5S/c1-12-4-5-14(25-3)15(10-12)26(23,24)19(2)11-16(21)20-8-6-13(7-9-20)17(18)22/h4-5,10,13H,6-9,11H2,1-3H3,(H2,18,22)
InChIKeyANOCCRDPLDJYNB-UHFFFAOYSA-N
XLogP0.35
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide (CID 1095809) is 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is ANOCCRDPLDJYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-12-4-5-14(25-3)15(10-12)26(23,24)19(2)11-16(21)20-8-6-13(7-9-20)17(18)22/h4-5,10,13H,6-9,11H2,1-3H3,(H2,18,22).
What are the key properties of 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1095809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).