N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide

C20H25N3O3S — CID 119615533

IUPACN-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)C2CC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-14-7-8-17(20(24)23-18(12-21)16-9-10-16)11-19(14)27(25,26)22-13-15-5-3-2-4-6-15/h2-8,11,16,18,22H,9-10,12-13,21H2,1H3,(H,23,24)
InChIKeyJAMASMDVUBQWSJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.94
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide

N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide (PubChem CID 119615533) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
PubChem CID119615533
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)C2CC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-14-7-8-17(20(24)23-18(12-21)16-9-10-16)11-19(14)27(25,26)22-13-15-5-3-2-4-6-15/h2-8,11,16,18,22H,9-10,12-13,21H2,1H3,(H,23,24)
InChIKeyJAMASMDVUBQWSJ-UHFFFAOYSA-N
XLogP1.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206
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3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
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3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
CID 119617679
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
CID 119591792
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
CID 30948744
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide (CID 119615533) is N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(CN)C2CC2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide?
The InChIKey is JAMASMDVUBQWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-7-8-17(20(24)23-18(12-21)16-9-10-16)11-19(14)27(25,26)22-13-15-5-3-2-4-6-15/h2-8,11,16,18,22H,9-10,12-13,21H2,1H3,(H,23,24).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide?
N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 119615533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).