3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide

C20H25N3O3S — CID 120895786

IUPAC3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H25N3O3S/c21-12-14-23(13-11-16-5-2-1-3-6-16)27(25,26)19-8-4-7-17(15-19)20(24)22-18-9-10-18/h1-8,15,18H,9-14,21H2,(H,22,24)
InChIKeyXIAAHOLOYVVIJS-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.77
Rot. Bonds9

About 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide

3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide (PubChem CID 120895786) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
PubChem CID120895786
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H25N3O3S/c21-12-14-23(13-11-16-5-2-1-3-6-16)27(25,26)19-8-4-7-17(15-19)20(24)22-18-9-10-18/h1-8,15,18H,9-14,21H2,(H,22,24)
InChIKeyXIAAHOLOYVVIJS-UHFFFAOYSA-N
XLogP1.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide
CID 119476656
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide
CID 146089268
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677215
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide (CID 120895786) is 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide is NCCN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide?
The InChIKey is XIAAHOLOYVVIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-12-14-23(13-11-16-5-2-1-3-6-16)27(25,26)19-8-4-7-17(15-19)20(24)22-18-9-10-18/h1-8,15,18H,9-14,21H2,(H,22,24).
What are the key properties of 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide?
3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 120895786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).