N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide

C14H22N2O4S — CID 65373100

IUPACN-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(OCC)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-4-6-9-16(3)14(17)11-7-8-12(20-5-2)13(10-11)21(15,18)19/h7-8,10H,4-6,9H2,1-3H3,(H2,15,18,19)
InChIKeyXAPRRLMUSUDSRC-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.60
Rot. Bonds7

About N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide

N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide (PubChem CID 65373100) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
PubChem CID65373100
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(OCC)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-4-6-9-16(3)14(17)11-7-8-12(20-5-2)13(10-11)21(15,18)19/h7-8,10H,4-6,9H2,1-3H3,(H2,15,18,19)
InChIKeyXAPRRLMUSUDSRC-UHFFFAOYSA-N
XLogP1.60
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl(methyl)carbamoyl]-2-ethoxybenzenesulfonyl chloride
CID 65370070
2-bromo-5-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370836
tert-butyl 4-ethoxy-3-sulfamoylbenzoate
CID 65380420
4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
CID 82921995
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701176
4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67216147
2-methyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371307
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
N-butyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55547953
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
CID 106207062
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide (CID 65373100) is N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide is CCCCN(C)C(=O)c1ccc(OCC)c(S(N)(=O)=O)c1.
What is the InChIKey of N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide?
The InChIKey is XAPRRLMUSUDSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-6-9-16(3)14(17)11-7-8-12(20-5-2)13(10-11)21(15,18)19/h7-8,10H,4-6,9H2,1-3H3,(H2,15,18,19).
What are the key properties of N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide?
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65373100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).