2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide

C26H30N2O5S — CID 30277462

IUPAC2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C26H30N2O5S/c1-20-17-24(14-15-25(20)33-3)34(30,31)28(22-11-5-4-6-12-22)19-26(29)27-16-8-10-21-9-7-13-23(18-21)32-2/h4-7,9,11-15,17-18H,8,10,16,19H2,1-3H3,(H,27,29)
InChIKeyXQLCIIXVFIXBHL-UHFFFAOYSA-N
MW482.60 g/mol
LogP3.96
Rot. Bonds11

About 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 30277462) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID30277462
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C26H30N2O5S/c1-20-17-24(14-15-25(20)33-3)34(30,31)28(22-11-5-4-6-12-22)19-26(29)27-16-8-10-21-9-7-13-23(18-21)32-2/h4-7,9,11-15,17-18H,8,10,16,19H2,1-3H3,(H,27,29)
InChIKeyXQLCIIXVFIXBHL-UHFFFAOYSA-N
XLogP3.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.96
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-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271613
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30229496
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30204003
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30213762
2-[N-(benzenesulfonyl)anilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30174041
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30211848
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30250363
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265589

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 30277462) is 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1.
What is the InChIKey of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is XQLCIIXVFIXBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-20-17-24(14-15-25(20)33-3)34(30,31)28(22-11-5-4-6-12-22)19-26(29)27-16-8-10-21-9-7-13-23(18-21)32-2/h4-7,9,11-15,17-18H,8,10,16,19H2,1-3H3,(H,27,29).
What are the key properties of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30277462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).