N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide

C19H18N2O3S — CID 2608487

IUPACN-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c20-25(23,24)16-10-8-14(9-11-16)12-13-21-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,21,22)(H2,20,23,24)
InChIKeyMTGMQLMNHUMKBL-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide (PubChem CID 2608487) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide
PubChem CID2608487
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c20-25(23,24)16-10-8-14(9-11-16)12-13-21-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,21,22)(H2,20,23,24)
InChIKeyMTGMQLMNHUMKBL-UHFFFAOYSA-N
XLogP2.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide (CID 2608487) is N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide?
The InChIKey is MTGMQLMNHUMKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c20-25(23,24)16-10-8-14(9-11-16)12-13-21-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,21,22)(H2,20,23,24).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2608487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).