N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C20H25N3O4S — CID 651560

IUPACN-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-21-11-13-22(14-12-21)20(24)16-23(17-7-6-8-18(15-17)27-2)28(25,26)19-9-4-3-5-10-19/h3-10,15H,11-14,16H2,1-2H3
InChIKeyWZFLNZXQDVVHIV-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.66
Rot. Bonds6

About N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 651560) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID651560
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-21-11-13-22(14-12-21)20(24)16-23(17-7-6-8-18(15-17)27-2)28(25,26)19-9-4-3-5-10-19/h3-10,15H,11-14,16H2,1-2H3
InChIKeyWZFLNZXQDVVHIV-UHFFFAOYSA-N
XLogP1.66
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274553
N-(3-Methoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846687
N-(2,5-Dimethoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 1102396
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10736348
N-methyl-N-{2-[(3-methoxyphenyl)-phenylamino]ethyl}acetamide
CID 24750195
4-Methoxy-N-{3-[4-(m-methoxyphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635029

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 651560) is N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is WZFLNZXQDVVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-21-11-13-22(14-12-21)20(24)16-23(17-7-6-8-18(15-17)27-2)28(25,26)19-9-4-3-5-10-19/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).