N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C24H29N3O5S — CID 37435447

IUPACN-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)c1
InChIInChI=1S/C24H29N3O5S/c1-32-21-4-2-3-19(17-21)24(29)27-15-13-26(14-16-27)23(28)12-7-18-5-10-22(11-6-18)33(30,31)25-20-8-9-20/h2-6,10-11,17,20,25H,7-9,12-16H2,1H3
InChIKeyOXZIDIJXOPTFPD-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.05
Rot. Bonds8

About N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 37435447) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID37435447
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)c1
InChIInChI=1S/C24H29N3O5S/c1-32-21-4-2-3-19(17-21)24(29)27-15-13-26(14-16-27)23(28)12-7-18-5-10-22(11-6-18)33(30,31)25-20-8-9-20/h2-6,10-11,17,20,25H,7-9,12-16H2,1H3
InChIKeyOXZIDIJXOPTFPD-UHFFFAOYSA-N
XLogP2.05
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55959537
3-(4-chlorophenyl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544951
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108563317
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
N-cyclopropyl-4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 92645794
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
[3-[4-[3-(4-bromophenyl)propanoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926777
N-cyclopropyl-4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 38987723
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 37435447) is N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is COc1cccc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is OXZIDIJXOPTFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-32-21-4-2-3-19(17-21)24(29)27-15-13-26(14-16-27)23(28)12-7-18-5-10-22(11-6-18)33(30,31)25-20-8-9-20/h2-6,10-11,17,20,25H,7-9,12-16H2,1H3.
What are the key properties of N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 471.58 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 37435447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).