4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide

C21H28N2O4S — CID 90595968

IUPAC4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-4-27-21-10-9-20(15-16(21)2)28(24,25)22-17-5-7-18(8-6-17)23-13-11-19(26-3)12-14-23/h5-10,15,19,22H,4,11-14H2,1-3H3
InChIKeyZGGLKWOXACWWMN-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.81
Rot. Bonds7

About 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide

4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 90595968) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
PubChem CID90595968
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-4-27-21-10-9-20(15-16(21)2)28(24,25)22-17-5-7-18(8-6-17)23-13-11-19(26-3)12-14-23/h5-10,15,19,22H,4,11-14H2,1-3H3
InChIKeyZGGLKWOXACWWMN-UHFFFAOYSA-N
XLogP3.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 71809628
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297204
4-ethoxy-3-methyl-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891183
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide
CID 53278380
4-ethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylbenzenesulfonamide
CID 16926583

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide (CID 90595968) is 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1C.
What is the InChIKey of 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is ZGGLKWOXACWWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-27-21-10-9-20(15-16(21)2)28(24,25)22-17-5-7-18(8-6-17)23-13-11-19(26-3)12-14-23/h5-10,15,19,22H,4,11-14H2,1-3H3.
What are the key properties of 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide?
4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 90595968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).