2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide

C23H27ClN4O4S — CID 24642630

IUPAC2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1)NC1CC1
InChIInChI=1S/C23H27ClN4O4S/c24-20-9-6-18(14-21(20)33(31,32)25-15-17-4-2-1-3-5-17)23(30)28-12-10-27(11-13-28)16-22(29)26-19-7-8-19/h1-6,9,14,19,25H,7-8,10-13,15-16H2,(H,26,29)
InChIKeyAVMCLSOTYWCIJY-UHFFFAOYSA-N
MW491.01 g/mol
LogP1.85
Rot. Bonds8

About 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 24642630) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID24642630
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1)NC1CC1
InChIInChI=1S/C23H27ClN4O4S/c24-20-9-6-18(14-21(20)33(31,32)25-15-17-4-2-1-3-5-17)23(30)28-12-10-27(11-13-28)16-22(29)26-19-7-8-19/h1-6,9,14,19,25H,7-8,10-13,15-16H2,(H,26,29)
InChIKeyAVMCLSOTYWCIJY-UHFFFAOYSA-N
XLogP1.85
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
[2-(cyclohexylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599580
5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
CID 9414275
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
CID 24641891
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate
CID 55736695
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 24642630) is 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is AVMCLSOTYWCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c24-20-9-6-18(14-21(20)33(31,32)25-15-17-4-2-1-3-5-17)23(30)28-12-10-27(11-13-28)16-22(29)26-19-7-8-19/h1-6,9,14,19,25H,7-8,10-13,15-16H2,(H,26,29).
What are the key properties of 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 491.01 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 24642630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).