2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide

C26H30N2O6S — CID 30204003

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H30N2O6S/c1-32-21-11-7-9-20(17-21)10-8-16-27-26(29)19-28(35(30,31)23-12-5-4-6-13-23)24-18-22(33-2)14-15-25(24)34-3/h4-7,9,11-15,17-18H,8,10,16,19H2,1-3H3,(H,27,29)
InChIKeyFRDFAHSKWZRNOK-UHFFFAOYSA-N
MW498.60 g/mol
LogP3.66
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 30204003) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID30204003
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H30N2O6S/c1-32-21-11-7-9-20(17-21)10-8-16-27-26(29)19-28(35(30,31)23-12-5-4-6-13-23)24-18-22(33-2)14-15-25(24)34-3/h4-7,9,11-15,17-18H,8,10,16,19H2,1-3H3,(H,27,29)
InChIKeyFRDFAHSKWZRNOK-UHFFFAOYSA-N
XLogP3.66
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30210281
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30229496
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206148
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30211848
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
CID 126136501
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30215393
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280506
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 30204003) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is FRDFAHSKWZRNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-32-21-11-7-9-20(17-21)10-8-16-27-26(29)19-28(35(30,31)23-12-5-4-6-13-23)24-18-22(33-2)14-15-25(24)34-3/h4-7,9,11-15,17-18H,8,10,16,19H2,1-3H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 498.60 g/mol, XLogP of 3.66, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30204003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).