2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide

C12H19N3O3S — CID 61128214

IUPAC2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-3-5-9(2)12(16)14-10-6-4-7-11(8-10)15-19(13,17)18/h4,6-9,15H,3,5H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyOBJUULGESFETJO-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.68
Rot. Bonds6

About 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide

2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide (PubChem CID 61128214) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
PubChem CID61128214
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-3-5-9(2)12(16)14-10-6-4-7-11(8-10)15-19(13,17)18/h4,6-9,15H,3,5H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyOBJUULGESFETJO-UHFFFAOYSA-N
XLogP1.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 65225216
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
CID 43246501
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
CID 43742023
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
2-methyl-N-phenylpentanamide
CID 4627801
ethyl 3-[[(2S)-2-methylpentanoyl]amino]benzoate
CID 670808
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide (CID 61128214) is 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide is CCCC(C)C(=O)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide?
The InChIKey is OBJUULGESFETJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-5-9(2)12(16)14-10-6-4-7-11(8-10)15-19(13,17)18/h4,6-9,15H,3,5H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide?
2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide has a molecular weight of 285.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide is sourced from PubChem (CID 61128214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).