3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

C25H34N2O4S — CID 133191791

IUPAC3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H34N2O4S/c1-5-23(20-11-10-18-8-6-7-9-19(18)16-20)26-25(28)15-12-21-17-22(13-14-24(21)31-4)32(29,30)27(2)3/h10-11,13-14,16-17,23H,5-9,12,15H2,1-4H3,(H,26,28)
InChIKeyKJNLIGZXGHGSIY-UHFFFAOYSA-N
MW458.62 g/mol
LogP4.02
Rot. Bonds9

About 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (PubChem CID 133191791) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
PubChem CID133191791
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H34N2O4S/c1-5-23(20-11-10-18-8-6-7-9-19(18)16-20)26-25(28)15-12-21-17-22(13-14-24(21)31-4)32(29,30)27(2)3/h10-11,13-14,16-17,23H,5-9,12,15H2,1-4H3,(H,26,28)
InChIKeyKJNLIGZXGHGSIY-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 133199388
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 133161383
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191146
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 133186047
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (CID 133191791) is 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is CCC(NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The InChIKey is KJNLIGZXGHGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-5-23(20-11-10-18-8-6-7-9-19(18)16-20)26-25(28)15-12-21-17-22(13-14-24(21)31-4)32(29,30)27(2)3/h10-11,13-14,16-17,23H,5-9,12,15H2,1-4H3,(H,26,28).
What are the key properties of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide has a molecular weight of 458.62 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is sourced from PubChem (CID 133191791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).