2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C30H32N2O5S — CID 43892591

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H32N2O5S/c1-22(18-24-12-9-11-23-10-7-8-15-27(23)24)20-31-30(33)21-32(38(34,35)26-13-5-4-6-14-26)28-19-25(36-2)16-17-29(28)37-3/h4-17,19,22H,18,20-21H2,1-3H3,(H,31,33)
InChIKeyHOUXVISPTPKDNO-UHFFFAOYSA-N
MW532.66 g/mol
LogP5.05
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43892591) has the molecular formula C30H32N2O5S and a molecular weight of 532.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43892591
Molecular FormulaC30H32N2O5S
Molecular Weight532.66 g/mol
Exact Mass532.20
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H32N2O5S/c1-22(18-24-12-9-11-23-10-7-8-15-27(23)24)20-31-30(33)21-32(38(34,35)26-13-5-4-6-14-26)28-19-25(36-2)16-17-29(28)37-3/h4-17,19,22H,18,20-21H2,1-3H3,(H,31,33)
InChIKeyHOUXVISPTPKDNO-UHFFFAOYSA-N
XLogP5.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895695
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895020
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057674
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892752
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30203960
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896945
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892647
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280506
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30204003

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43892591) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is HOUXVISPTPKDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5S/c1-22(18-24-12-9-11-23-10-7-8-15-27(23)24)20-31-30(33)21-32(38(34,35)26-13-5-4-6-14-26)28-19-25(36-2)16-17-29(28)37-3/h4-17,19,22H,18,20-21H2,1-3H3,(H,31,33).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 532.66 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43892591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).