N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide

C19H22N2O3S — CID 119617679

IUPACN-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
SMILESNCC(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1
InChIInChI=1S/C19H22N2O3S/c20-12-18(15-9-10-15)21-19(22)16-6-4-5-14(11-16)13-25(23,24)17-7-2-1-3-8-17/h1-8,11,15,18H,9-10,12-13,20H2,(H,21,22)
InChIKeyLOADYYAZOZTSMK-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.13
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide

N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide (PubChem CID 119617679) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
PubChem CID119617679
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
SMILESNCC(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1
InChIInChI=1S/C19H22N2O3S/c20-12-18(15-9-10-15)21-19(22)16-6-4-5-14(11-16)13-25(23,24)17-7-2-1-3-8-17/h1-8,11,15,18H,9-10,12-13,20H2,(H,21,22)
InChIKeyLOADYYAZOZTSMK-UHFFFAOYSA-N
XLogP2.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86813866
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CID 119612805
N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 119615533
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 119612678
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide (CID 119617679) is N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide is NCC(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide?
The InChIKey is LOADYYAZOZTSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c20-12-18(15-9-10-15)21-19(22)16-6-4-5-14(11-16)13-25(23,24)17-7-2-1-3-8-17/h1-8,11,15,18H,9-10,12-13,20H2,(H,21,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide?
N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide is sourced from PubChem (CID 119617679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).