N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride

C15H22ClN3O4S — CID 119613784

IUPACN-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1
InChIInChI=1S/C15H21N3O4S.ClH/c16-6-14(10-1-2-10)18-15(19)7-17-23(20,21)13-4-3-11-8-22-9-12(11)5-13;/h3-5,10,14,17H,1-2,6-9,16H2,(H,18,19);1H
InChIKeyMXMURQBTVKIUIL-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.27
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride (PubChem CID 119613784) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride
PubChem CID119613784
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1
InChIInChI=1S/C15H21N3O4S.ClH/c16-6-14(10-1-2-10)18-15(19)7-17-23(20,21)13-4-3-11-8-22-9-12(11)5-13;/h3-5,10,14,17H,1-2,6-9,16H2,(H,18,19);1H
InChIKeyMXMURQBTVKIUIL-UHFFFAOYSA-N
XLogP0.27
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337
N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 119543527
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439155
(2S)-1-[2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365630
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide
CID 119445720
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438096
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
N-(2-amino-1-cyclopropylethyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119615808
N-(2-amino-1-cyclopropylethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 119613440
N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 119617561

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride (CID 119613784) is N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride is Cl.NCC(NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride?
The InChIKey is MXMURQBTVKIUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.ClH/c16-6-14(10-1-2-10)18-15(19)7-17-23(20,21)13-4-3-11-8-22-9-12(11)5-13;/h3-5,10,14,17H,1-2,6-9,16H2,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride is sourced from PubChem (CID 119613784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).