2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide

C21H26N2O2S — CID 983046

IUPAC2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C21H26N2O2S/c1-15(2)12-22-21(25)18-10-6-7-11-19(18)23-20(24)14-26-13-17-9-5-4-8-16(17)3/h4-11,15H,12-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLCJFDQVBWGMSTF-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.25
Rot. Bonds8

About 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 983046) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID983046
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C21H26N2O2S/c1-15(2)12-22-21(25)18-10-6-7-11-19(18)23-20(24)14-26-13-17-9-5-4-8-16(17)3/h4-11,15H,12-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLCJFDQVBWGMSTF-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 8633965
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
CID 51321090
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 17362404
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 983046) is 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is LCJFDQVBWGMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15(2)12-22-21(25)18-10-6-7-11-19(18)23-20(24)14-26-13-17-9-5-4-8-16(17)3/h4-11,15H,12-14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 370.52 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 983046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).