N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide

C23H29N3O4S — CID 16829685

IUPACN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H29N3O4S/c1-18-9-5-6-10-19(18)17-25-23(28)22(27)24-15-14-20-11-7-8-16-26(20)31(29,30)21-12-3-2-4-13-21/h2-6,9-10,12-13,20H,7-8,11,14-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyBYRXOTDJFZBWFM-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.36
Rot. Bonds7

About N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide

N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide (PubChem CID 16829685) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
PubChem CID16829685
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H29N3O4S/c1-18-9-5-6-10-19(18)17-25-23(28)22(27)24-15-14-20-11-7-8-16-26(20)31(29,30)21-12-3-2-4-13-21/h2-6,9-10,12-13,20H,7-8,11,14-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyBYRXOTDJFZBWFM-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide (CID 16829685) is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide is Cc1ccccc1CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide?
The InChIKey is BYRXOTDJFZBWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-18-9-5-6-10-19(18)17-25-23(28)22(27)24-15-14-20-11-7-8-16-26(20)31(29,30)21-12-3-2-4-13-21/h2-6,9-10,12-13,20H,7-8,11,14-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide?
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide has a molecular weight of 443.57 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 16829685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).