4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide

C23H31N3O4S — CID 654406

IUPAC4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O4S/c1-18(2)24-31(28,29)20-11-8-19(9-12-20)10-13-23(27)26-16-14-25(15-17-26)21-6-4-5-7-22(21)30-3/h4-9,11-12,18,24H,10,13-17H2,1-3H3
InChIKeyUDQQZVSQWLCTBX-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.66
Rot. Bonds8

About 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide

4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 654406) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID654406
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O4S/c1-18(2)24-31(28,29)20-11-8-19(9-12-20)10-13-23(27)26-16-14-25(15-17-26)21-6-4-5-7-22(21)30-3/h4-9,11-12,18,24H,10,13-17H2,1-3H3
InChIKeyUDQQZVSQWLCTBX-UHFFFAOYSA-N
XLogP2.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclohexanecarboxamide
CID 44276536
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide (CID 654406) is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide is COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UDQQZVSQWLCTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18(2)24-31(28,29)20-11-8-19(9-12-20)10-13-23(27)26-16-14-25(15-17-26)21-6-4-5-7-22(21)30-3/h4-9,11-12,18,24H,10,13-17H2,1-3H3.
What are the key properties of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 445.59 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 654406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).