3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C16H24N2O3S — CID 75499008

IUPAC3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC1CCc2ccccc2C1NC(=O)CCS(=O)(=O)N(C)C
InChIInChI=1S/C16H24N2O3S/c1-12-8-9-13-6-4-5-7-14(13)16(12)17-15(19)10-11-22(20,21)18(2)3/h4-7,12,16H,8-11H2,1-3H3,(H,17,19)
InChIKeyHEAIQKUGSJRCME-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.71
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 75499008) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID75499008
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC1CCc2ccccc2C1NC(=O)CCS(=O)(=O)N(C)C
InChIInChI=1S/C16H24N2O3S/c1-12-8-9-13-6-4-5-7-14(13)16(12)17-15(19)10-11-22(20,21)18(2)3/h4-7,12,16H,8-11H2,1-3H3,(H,17,19)
InChIKeyHEAIQKUGSJRCME-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
CID 75514637
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 122134159
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 124569740
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
3-(dimethylsulfamoyl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
CID 98566487
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
3-(dimethylsulfamoyl)-N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 97062388
3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11232317
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 75499008) is 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC1CCc2ccccc2C1NC(=O)CCS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is HEAIQKUGSJRCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-8-9-13-6-4-5-7-14(13)16(12)17-15(19)10-11-22(20,21)18(2)3/h4-7,12,16H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 75499008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).