4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide

C25H34N2O3S — CID 133191693

IUPAC4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H34N2O3S/c1-4-23(22-16-15-20-11-6-7-12-21(20)18-22)26-25(28)14-9-17-27(31(3,29)30)24-13-8-5-10-19(24)2/h5,8,10,13,15-16,18,23H,4,6-7,9,11-12,14,17H2,1-3H3,(H,26,28)
InChIKeyOZGLXHMGNWBENF-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.69
Rot. Bonds9

About 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide

4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide (PubChem CID 133191693) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
PubChem CID133191693
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC Name4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H34N2O3S/c1-4-23(22-16-15-20-11-6-7-12-21(20)18-22)26-25(28)14-9-17-27(31(3,29)30)24-13-8-5-10-19(24)2/h5,8,10,13,15-16,18,23H,4,6-7,9,11-12,14,17H2,1-3H3,(H,26,28)
InChIKeyOZGLXHMGNWBENF-UHFFFAOYSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191616
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 99132737
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191306
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191219
4-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190928
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132669081
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
CID 99132564
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191288
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191104
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
The IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide (CID 133191693) is 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide.
What is the SMILES notation for 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
The canonical SMILES for 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide is CCC(NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
The InChIKey is OZGLXHMGNWBENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-4-23(22-16-15-20-11-6-7-12-21(20)18-22)26-25(28)14-9-17-27(31(3,29)30)24-13-8-5-10-19(24)2/h5,8,10,13,15-16,18,23H,4,6-7,9,11-12,14,17H2,1-3H3,(H,26,28).
What are the key properties of 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide has a molecular weight of 442.63 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide is sourced from PubChem (CID 133191693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).