5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide

C19H30N2O5S — CID 18108936

IUPAC5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC
InChIInChI=1S/C19H30N2O5S/c1-3-26-14-8-11-20-19(22)17-15-16(9-10-18(17)25-2)27(23,24)21-12-6-4-5-7-13-21/h9-10,15H,3-8,11-14H2,1-2H3,(H,20,22)
InChIKeyIZTRYXMEVXVGNU-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.42
Rot. Bonds9

About 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide

5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide (PubChem CID 18108936) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide
PubChem CID18108936
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC
InChIInChI=1S/C19H30N2O5S/c1-3-26-14-8-11-20-19(22)17-15-16(9-10-18(17)25-2)27(23,24)21-12-6-4-5-7-13-21/h9-10,15H,3-8,11-14H2,1-2H3,(H,20,22)
InChIKeyIZTRYXMEVXVGNU-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide 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-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119430958
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
2-methoxy-N-(2-phenylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590879
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 42589509
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
CID 27260668

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide (CID 18108936) is 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide is CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide?
The InChIKey is IZTRYXMEVXVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-3-26-14-8-11-20-19(22)17-15-16(9-10-18(17)25-2)27(23,24)21-12-6-4-5-7-13-21/h9-10,15H,3-8,11-14H2,1-2H3,(H,20,22).
What are the key properties of 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide?
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide has a molecular weight of 398.53 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 18108936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).