N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride

C17H29ClN4O4S — CID 119446567

IUPACN-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-14(2)25-16-5-3-15(4-6-16)20-26(23,24)13-17(22)19-9-12-21-10-7-18-8-11-21;/h3-6,14,18,20H,7-13H2,1-2H3,(H,19,22);1H
InChIKeyGWIDKAVRNCEJHP-UHFFFAOYSA-N
MW420.96 g/mol
LogP0.66
Rot. Bonds9

About N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride

N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride (PubChem CID 119446567) has the molecular formula C17H29ClN4O4S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride
PubChem CID119446567
Molecular FormulaC17H29ClN4O4S
Molecular Weight420.96 g/mol
Exact Mass420.16
IUPAC NameN-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-14(2)25-16-5-3-15(4-6-16)20-26(23,24)13-17(22)19-9-12-21-10-7-18-8-11-21;/h3-6,14,18,20H,7-13H2,1-2H3,(H,19,22);1H
InChIKeyGWIDKAVRNCEJHP-UHFFFAOYSA-N
XLogP0.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
N-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
N-(2-piperidin-3-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119556769
N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
5-methyl-N-(2-piperazin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119446433
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
CID 119212048
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride (CID 119446567) is N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCCN2CCNCC2)cc1.Cl.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride?
The InChIKey is GWIDKAVRNCEJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S.ClH/c1-14(2)25-16-5-3-15(4-6-16)20-26(23,24)13-17(22)19-9-12-21-10-7-18-8-11-21;/h3-6,14,18,20H,7-13H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride is sourced from PubChem (CID 119446567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).