N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide

C13H21N3O3S — CID 119384028

IUPACN-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C13H21N3O3S/c1-10(2)9-16-20(18,19)12-5-3-11(4-6-12)13(17)15-8-7-14/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyMRIHBHMOTDYVQG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.31
Rot. Bonds7

About N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide

N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 119384028) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID119384028
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C13H21N3O3S/c1-10(2)9-16-20(18,19)12-5-3-11(4-6-12)13(17)15-8-7-14/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyMRIHBHMOTDYVQG-UHFFFAOYSA-N
XLogP0.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241930
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 166288272
4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide (CID 119384028) is N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is MRIHBHMOTDYVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)9-16-20(18,19)12-5-3-11(4-6-12)13(17)15-8-7-14/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide?
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 119384028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).