2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C17H26N4O4S — CID 18268795

IUPAC2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-13(2)19-16(22)12-20-8-10-21(11-9-20)17(23)14-4-6-15(7-5-14)26(24,25)18-3/h4-7,13,18H,8-12H2,1-3H3,(H,19,22)
InChIKeyHSFRJYCBRQGGJC-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.12
Rot. Bonds6

About 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18268795) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18268795
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-13(2)19-16(22)12-20-8-10-21(11-9-20)17(23)14-4-6-15(7-5-14)26(24,25)18-3/h4-7,13,18H,8-12H2,1-3H3,(H,19,22)
InChIKeyHSFRJYCBRQGGJC-UHFFFAOYSA-N
XLogP-0.12
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55756331
2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519631
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 86903654
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156804
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 18268795) is 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is CNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HSFRJYCBRQGGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-13(2)19-16(22)12-20-8-10-21(11-9-20)17(23)14-4-6-15(7-5-14)26(24,25)18-3/h4-7,13,18H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18268795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).