N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide

C18H23N3OS — CID 96523121

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CS[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N3OS/c1-20(11-14-10-19-21(2)12-14)18(22)13-23-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10,12,17H,5,7,9,11,13H2,1-2H3/t17-/m0/s1
InChIKeyMCKNWJRWFGGJCF-KRWDZBQOSA-N
MW329.47 g/mol
LogP3.19
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide (PubChem CID 96523121) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
PubChem CID96523121
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CS[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N3OS/c1-20(11-14-10-19-21(2)12-14)18(22)13-23-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10,12,17H,5,7,9,11,13H2,1-2H3/t17-/m0/s1
InChIKeyMCKNWJRWFGGJCF-KRWDZBQOSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 72898443
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799415
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95329588
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680892
[3-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]hydrazine
CID 103025799
2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3361482

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide (CID 96523121) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide is CN(Cc1cnn(C)c1)C(=O)CS[C@H]1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
The InChIKey is MCKNWJRWFGGJCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-20(11-14-10-19-21(2)12-14)18(22)13-23-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10,12,17H,5,7,9,11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide is sourced from PubChem (CID 96523121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).