N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide

C18H23N3O3S — CID 120886326

IUPACN-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-20-25(23,24)17-9-7-16(8-10-17)18(22)21(14-12-19)13-11-15-5-3-2-4-6-15/h2-10,20H,11-14,19H2,1H3
InChIKeyNOKUGRNISNOQDA-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.24
Rot. Bonds8

About N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide

N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide (PubChem CID 120886326) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
PubChem CID120886326
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-20-25(23,24)17-9-7-16(8-10-17)18(22)21(14-12-19)13-11-15-5-3-2-4-6-15/h2-10,20H,11-14,19H2,1H3
InChIKeyNOKUGRNISNOQDA-UHFFFAOYSA-N
XLogP1.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120885122
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-N-(2-phenylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 120884588
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide (CID 120886326) is N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide?
The InChIKey is NOKUGRNISNOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20-25(23,24)17-9-7-16(8-10-17)18(22)21(14-12-19)13-11-15-5-3-2-4-6-15/h2-10,20H,11-14,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120886326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).