5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C21H29N3O3S — CID 16887983

IUPAC5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCC2CCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C21H29N3O3S/c1-3-17-6-7-20(27-2)21(13-17)28(25,26)23-15-18-8-11-24(12-9-18)16-19-5-4-10-22-14-19/h4-7,10,13-14,18,23H,3,8-9,11-12,15-16H2,1-2H3
InChIKeyUVKVZVGHZUGCQF-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.84
Rot. Bonds8

About 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887983) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887983
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCC2CCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C21H29N3O3S/c1-3-17-6-7-20(27-2)21(13-17)28(25,26)23-15-18-8-11-24(12-9-18)16-19-5-4-10-22-14-19/h4-7,10,13-14,18,23H,3,8-9,11-12,15-16H2,1-2H3
InChIKeyUVKVZVGHZUGCQF-UHFFFAOYSA-N
XLogP2.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-methoxy-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108330
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887922
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624844
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 20936132
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887983) is 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCC2CCN(Cc3cccnc3)CC2)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is UVKVZVGHZUGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-3-17-6-7-20(27-2)21(13-17)28(25,26)23-15-18-8-11-24(12-9-18)16-19-5-4-10-22-14-19/h4-7,10,13-14,18,23H,3,8-9,11-12,15-16H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).