N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide

C21H27N3O4S — CID 984417

IUPACN-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-3-23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)16-22-29(26,27)20-6-4-5-19(15-20)28-2/h4-10,15,22H,3,11-14,16H2,1-2H3
InChIKeyOQNLSOFIADOABL-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.95
Rot. Bonds7

About N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide

N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide (PubChem CID 984417) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide
PubChem CID984417
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-3-23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)16-22-29(26,27)20-6-4-5-19(15-20)28-2/h4-10,15,22H,3,11-14,16H2,1-2H3
InChIKeyOQNLSOFIADOABL-UHFFFAOYSA-N
XLogP1.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

MMP-9/MMP-13 Inhibitor I
CID 9983251
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
CID 130431447
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155518093
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 4354484
(3-Methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 719650
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
4-((N-benzyl-4-methoxyphenylsulfonamido)methyl)-N-(cyclopropylmethyl)benzamide
CID 44253447
4-((N-benzyl-4-ethoxyphenylsulfonamido)methyl)-N-(cyclopropylmethyl)benzamide
CID 44253448
N-benzyl-4-((N-benzyl-4-methoxyphenylsulfonamido)methyl)benzamide
CID 44253727
N-[2-(4-methoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456565
N-[2-(2-methoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456568

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide (CID 984417) is N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide is CCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide?
The InChIKey is OQNLSOFIADOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)16-22-29(26,27)20-6-4-5-19(15-20)28-2/h4-10,15,22H,3,11-14,16H2,1-2H3.
What are the key properties of N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide?
N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 984417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).