N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride

C16H25ClN2O4S — CID 119573538

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NC(C)(CN)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-16(11-17,13-5-6-13)18-15(19)12-3-7-14(8-4-12)23(20,21)10-9-22-2;/h3-4,7-8,13H,5-6,9-11,17H2,1-2H3,(H,18,19);1H
InChIKeyIIQSUZBQKNKUQQ-UHFFFAOYSA-N
MW376.91 g/mol
LogP1.39
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride (PubChem CID 119573538) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride
PubChem CID119573538
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NC(C)(CN)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-16(11-17,13-5-6-13)18-15(19)12-3-7-14(8-4-12)23(20,21)10-9-22-2;/h3-4,7-8,13H,5-6,9-11,17H2,1-2H3,(H,18,19);1H
InChIKeyIIQSUZBQKNKUQQ-UHFFFAOYSA-N
XLogP1.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119573926
N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
CID 119575759
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 119573755
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119574500
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride (CID 119573538) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride is COCCS(=O)(=O)c1ccc(C(=O)NC(C)(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride?
The InChIKey is IIQSUZBQKNKUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-16(11-17,13-5-6-13)18-15(19)12-3-7-14(8-4-12)23(20,21)10-9-22-2;/h3-4,7-8,13H,5-6,9-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride is sourced from PubChem (CID 119573538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).