N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride

C17H25ClN4O4S — CID 119573926

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1.Cl
InChIInChI=1S/C17H24N4O4S.ClH/c1-17(11-18,13-4-5-13)20-16(23)12-2-6-14(7-3-12)26(24,25)21-9-8-19-15(22)10-21;/h2-3,6-7,13H,4-5,8-11,18H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyZNQUNRNSOKMQET-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.09
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119573926) has the molecular formula C17H25ClN4O4S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119573926
Molecular FormulaC17H25ClN4O4S
Molecular Weight416.93 g/mol
Exact Mass416.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1.Cl
InChIInChI=1S/C17H24N4O4S.ClH/c1-17(11-18,13-4-5-13)20-16(23)12-2-6-14(7-3-12)26(24,25)21-9-8-19-15(22)10-21;/h2-3,6-7,13H,4-5,8-11,18H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyZNQUNRNSOKMQET-UHFFFAOYSA-N
XLogP0.09
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
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N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
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CID 2465157
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4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
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(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 119573926) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride is CC(CN)(NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is ZNQUNRNSOKMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S.ClH/c1-17(11-18,13-4-5-13)20-16(23)12-2-6-14(7-3-12)26(24,25)21-9-8-19-15(22)10-21;/h2-3,6-7,13H,4-5,8-11,18H2,1H3,(H,19,22)(H,20,23);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 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-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119573926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).