2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide

C21H26N2O2S — CID 8633965

IUPAC2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C
InChIInChI=1S/C21H26N2O2S/c1-14(2)12-22-21(25)18-7-5-6-8-19(18)23-20(24)13-26-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyLFEFYLZUTYYWJA-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.42
Rot. Bonds7

About 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 8633965) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID8633965
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C
InChIInChI=1S/C21H26N2O2S/c1-14(2)12-22-21(25)18-7-5-6-8-19(18)23-20(24)13-26-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyLFEFYLZUTYYWJA-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731957
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 7737880
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8633936
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide (CID 8633965) is 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C.
What is the InChIKey of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is LFEFYLZUTYYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(2)12-22-21(25)18-7-5-6-8-19(18)23-20(24)13-26-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 370.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 8633965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).