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

C20H25N3O3S — CID 120885122

IUPACN-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O3S/c21-13-15-23(14-12-16-4-2-1-3-5-16)20(24)17-6-10-19(11-7-17)27(25,26)22-18-8-9-18/h1-7,10-11,18,22H,8-9,12-15,21H2
InChIKeyJKBTWIWDEJMPNR-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.77
Rot. Bonds9

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

N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide (PubChem CID 120885122) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
PubChem CID120885122
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O3S/c21-13-15-23(14-12-16-4-2-1-3-5-16)20(24)17-6-10-19(11-7-17)27(25,26)22-18-8-9-18/h1-7,10-11,18,22H,8-9,12-15,21H2
InChIKeyJKBTWIWDEJMPNR-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

N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
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-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943568
N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
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)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide (CID 120885122) is N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide is NCCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide?
The InChIKey is JKBTWIWDEJMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-13-15-23(14-12-16-4-2-1-3-5-16)20(24)17-6-10-19(11-7-17)27(25,26)22-18-8-9-18/h1-7,10-11,18,22H,8-9,12-15,21H2.
What are the key properties of N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide 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 N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120885122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).