N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide

C25H28N4O4S — CID 11754900

IUPACN-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1
InChIInChI=1S/C25H28N4O4S/c1-17-7-3-4-8-19(17)24(30)27-22-11-12-23(21-10-6-5-9-20(21)22)34(32,33)28-18-13-15-29(16-14-18)25(31)26-2/h3-12,18,28H,13-16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeySYWOHCXHUUSVLW-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide

N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide (PubChem CID 11754900) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
PubChem CID11754900
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1
InChIInChI=1S/C25H28N4O4S/c1-17-7-3-4-8-19(17)24(30)27-22-11-12-23(21-10-6-5-9-20(21)22)34(32,33)28-18-13-15-29(16-14-18)25(31)26-2/h3-12,18,28H,13-16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeySYWOHCXHUUSVLW-UHFFFAOYSA-N
XLogP3.48
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide (CID 11754900) is N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide is CNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1.
What is the InChIKey of N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
The InChIKey is SYWOHCXHUUSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-17-7-3-4-8-19(17)24(30)27-22-11-12-23(21-10-6-5-9-20(21)22)34(32,33)28-18-13-15-29(16-14-18)25(31)26-2/h3-12,18,28H,13-16H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide is sourced from PubChem (CID 11754900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).