N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide

C12H18N2O4S — CID 48630521

IUPACN-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
SMILESCOCC(C)CNC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O4S/c1-9(8-18-2)7-14-12(15)10-4-3-5-11(6-10)19(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyFSSXHLISSWQUFA-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.35
Rot. Bonds6

About N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide

N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide (PubChem CID 48630521) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
PubChem CID48630521
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
SMILESCOCC(C)CNC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O4S/c1-9(8-18-2)7-14-12(15)10-4-3-5-11(6-10)19(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyFSSXHLISSWQUFA-UHFFFAOYSA-N
XLogP0.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
N-ethyl-3-sulfamoylbenzamide
CID 43089872
N-[[2-(methoxymethyl)phenyl]methyl]-3-sulfamoylbenzamide
CID 34684530
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65397770
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
N-(3-amino-2-methylpropyl)-3-benzylsulfonylbenzamide
CID 119997939

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide (CID 48630521) is N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide is COCC(C)CNC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide?
The InChIKey is FSSXHLISSWQUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(8-18-2)7-14-12(15)10-4-3-5-11(6-10)19(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide?
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 48630521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).