2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide

C20H26N2O5S — CID 126138621

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-3-27-15-7-14-21-20(23)16-22(17-10-12-18(26-2)13-11-17)28(24,25)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,21,23)
InChIKeyZJOMCPQLEWPPIB-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.43
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide (PubChem CID 126138621) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
PubChem CID126138621
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-3-27-15-7-14-21-20(23)16-22(17-10-12-18(26-2)13-11-17)28(24,25)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,21,23)
InChIKeyZJOMCPQLEWPPIB-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126153789
N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126131716
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126126940
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126145191
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 43897803
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
CID 30169579
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-ethoxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92648071

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide (CID 126138621) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
The InChIKey is ZJOMCPQLEWPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-27-15-7-14-21-20(23)16-22(17-10-12-18(26-2)13-11-17)28(24,25)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 126138621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).