4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide

C22H28N2O3S — CID 133191284

IUPAC4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3S/c1-4-21(19-10-9-16-7-5-6-8-18(16)15-19)23-22(25)17-11-13-20(14-12-17)24(2)28(3,26)27/h9-15,21H,4-8H2,1-3H3,(H,23,25)
InChIKeyLJQDNWJLJCJHQX-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.84
Rot. Bonds6

About 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide

4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (PubChem CID 133191284) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
PubChem CID133191284
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3S/c1-4-21(19-10-9-16-7-5-6-8-18(16)15-19)23-22(25)17-11-13-20(14-12-17)24(2)28(3,26)27/h9-15,21H,4-8H2,1-3H3,(H,23,25)
InChIKeyLJQDNWJLJCJHQX-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125083149
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191713
2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191722
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191712
4-propan-2-yloxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191484
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
3-(azepan-1-ylsulfonyl)-4-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191357
N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704372
3-methyl-4-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 99779959

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (CID 133191284) is 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is CCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?
The InChIKey is LJQDNWJLJCJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-21(19-10-9-16-7-5-6-8-18(16)15-19)23-22(25)17-11-13-20(14-12-17)24(2)28(3,26)27/h9-15,21H,4-8H2,1-3H3,(H,23,25).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?
4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is sourced from PubChem (CID 133191284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).