N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide

C18H27ClN4O4S — CID 24641891

IUPACN-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1Cl
InChIInChI=1S/C18H27ClN4O4S/c1-18(2,3)21-16(24)12-22-7-9-23(10-8-22)17(25)13-5-6-14(19)15(11-13)28(26,27)20-4/h5-6,11,20H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyXFHRKZOVXAEKDL-UHFFFAOYSA-N
MW430.96 g/mol
LogP0.92
Rot. Bonds5

About N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 24641891) has the molecular formula C18H27ClN4O4S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID24641891
Molecular FormulaC18H27ClN4O4S
Molecular Weight430.96 g/mol
Exact Mass430.14
IUPAC NameN-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1Cl
InChIInChI=1S/C18H27ClN4O4S/c1-18(2,3)21-16(24)12-22-7-9-23(10-8-22)17(25)13-5-6-14(19)15(11-13)28(26,27)20-4/h5-6,11,20H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyXFHRKZOVXAEKDL-UHFFFAOYSA-N
XLogP0.92
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9078759
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2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 24642630
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N-methylbenzenesulfonamide
CID 9294647
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
N-tert-butyl-4-(3,4-dichlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811531
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
N-tert-butyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 39463575
N-tert-butyl-2-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 9078752
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 130297023

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide (CID 24641891) is N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide is CNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1Cl.
What is the InChIKey of N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is XFHRKZOVXAEKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O4S/c1-18(2,3)21-16(24)12-22-7-9-23(10-8-22)17(25)13-5-6-14(19)15(11-13)28(26,27)20-4/h5-6,11,20H,7-10,12H2,1-4H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 430.96 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24641891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).