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

C15H23ClN4O4S — CID 119630422

IUPACN-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.Cl
InChIInChI=1S/C15H22N4O4S.ClH/c1-15(2,16)10-18-14(21)11-4-3-5-12(8-11)24(22,23)19-7-6-17-13(20)9-19;/h3-5,8H,6-7,9-10,16H2,1-2H3,(H,17,20)(H,18,21);1H
InChIKeyDBXGGHJNCSSJDC-UHFFFAOYSA-N
MW390.89 g/mol
LogP-0.30
Rot. Bonds5

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

N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119630422) has the molecular formula C15H23ClN4O4S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119630422
Molecular FormulaC15H23ClN4O4S
Molecular Weight390.89 g/mol
Exact Mass390.11
IUPAC NameN-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.Cl
InChIInChI=1S/C15H22N4O4S.ClH/c1-15(2,16)10-18-14(21)11-4-3-5-12(8-11)24(22,23)19-7-6-17-13(20)9-19;/h3-5,8H,6-7,9-10,16H2,1-2H3,(H,17,20)(H,18,21);1H
InChIKeyDBXGGHJNCSSJDC-UHFFFAOYSA-N
XLogP-0.30
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 120653983
N-[(5-chlorothiophen-2-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 32833995
N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 36619157
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 56558648
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-(1-amino-4-methylpentan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119588607
N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30855899
N-[2-(dimethylsulfamoyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55985734
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55556849
N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119604999
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55635743
N-[3-(N-ethylanilino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332368

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 119630422) is N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride is CC(C)(N)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is DBXGGHJNCSSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S.ClH/c1-15(2,16)10-18-14(21)11-4-3-5-12(8-11)24(22,23)19-7-6-17-13(20)9-19;/h3-5,8H,6-7,9-10,16H2,1-2H3,(H,17,20)(H,18,21);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 390.89 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119630422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).