N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H24N2O2S — CID 75805478

IUPACN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C21H24N2O2S/c1-23(14-20(24)22-18-12-5-6-13-19(18)26-2)21(25)17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,7,9,11,14H2,1-2H3,(H,22,24)
InChIKeyHBLBPQLWACXUAF-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.93
Rot. Bonds5

About N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 75805478) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID75805478
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C21H24N2O2S/c1-23(14-20(24)22-18-12-5-6-13-19(18)26-2)21(25)17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,7,9,11,14H2,1-2H3,(H,22,24)
InChIKeyHBLBPQLWACXUAF-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9348085
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9166290
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429285
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559572
1-[2-[methyl(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236130
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(5-bromopentyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107206241
N-(2-acetylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 43025249
(3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 11938415
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 75805478) is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CSc1ccccc1NC(=O)CN(C)C(=O)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is HBLBPQLWACXUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-23(14-20(24)22-18-12-5-6-13-19(18)26-2)21(25)17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,7,9,11,14H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 75805478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).