N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide

C14H22N2O3S — CID 65454692

IUPACN,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
SMILESCCC(C)CN(C)C(=O)c1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-5-10(2)9-16(4)14(17)12-8-11(3)6-7-13(12)20(15,18)19/h6-8,10H,5,9H2,1-4H3,(H2,15,18,19)
InChIKeySNVVLAMPNLCMSI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.76
Rot. Bonds5

About N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide

N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide (PubChem CID 65454692) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
PubChem CID65454692
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
SMILESCCC(C)CN(C)C(=O)c1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-5-10(2)9-16(4)14(17)12-8-11(3)6-7-13(12)20(15,18)19/h6-8,10H,5,9H2,1-4H3,(H2,15,18,19)
InChIKeySNVVLAMPNLCMSI-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 63932441
4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65387965
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
CID 65455448
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
CID 115877855
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide?
The IUPAC name of N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide (CID 65454692) is N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide.
What is the SMILES notation for N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide?
The canonical SMILES for N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide is CCC(C)CN(C)C(=O)c1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide?
The InChIKey is SNVVLAMPNLCMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-10(2)9-16(4)14(17)12-8-11(3)6-7-13(12)20(15,18)19/h6-8,10H,5,9H2,1-4H3,(H2,15,18,19).
What are the key properties of N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide?
N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide is sourced from PubChem (CID 65454692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).