methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate

C18H16N2O4S — CID 1149220

IUPACmethyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O4S/c1-24-18(21)19-14-9-11-15(12-10-14)25(22,23)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,20H,1H3,(H,19,21)
InChIKeyMTHLREPFXUFVIV-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.82
Rot. Bonds4

About methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate

methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate (PubChem CID 1149220) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
PubChem CID1149220
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O4S/c1-24-18(21)19-14-9-11-15(12-10-14)25(22,23)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,20H,1H3,(H,19,21)
InChIKeyMTHLREPFXUFVIV-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 21173554
2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 43910204
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide
CID 22306554
2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 1278407
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881129
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 124546089
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882414
methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate
CID 90562370

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate (CID 1149220) is methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate?
The InChIKey is MTHLREPFXUFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-18(21)19-14-9-11-15(12-10-14)25(22,23)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,20H,1H3,(H,19,21).
What are the key properties of methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate?
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate has a molecular weight of 356.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 1149220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).