N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

C18H22N2O4S — CID 660328

IUPACN-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O4S/c1-14-8-10-15(11-9-14)25(22,23)20-17-7-4-3-6-16(17)18(21)19-12-5-13-24-2/h3-4,6-11,20H,5,12-13H2,1-2H3,(H,19,21)
InChIKeyAMVNHHYEXVDHDN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.56
Rot. Bonds8

About N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 660328) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID660328
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O4S/c1-14-8-10-15(11-9-14)25(22,23)20-17-7-4-3-6-16(17)18(21)19-12-5-13-24-2/h3-4,6-11,20H,5,12-13H2,1-2H3,(H,19,21)
InChIKeyAMVNHHYEXVDHDN-UHFFFAOYSA-N
XLogP2.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 660328) is N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is AMVNHHYEXVDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-8-10-15(11-9-14)25(22,23)20-17-7-4-3-6-16(17)18(21)19-12-5-13-24-2/h3-4,6-11,20H,5,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 660328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).