N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide

C16H24N2O2S — CID 75374320

IUPACN,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(C)C(C)SCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O2S/c1-11(2)12(3)21-10-15(19)17-14-8-6-7-13(9-14)16(20)18(4)5/h6-9,11-12H,10H2,1-5H3,(H,17,19)
InChIKeyVYCOOHSUDQZSAM-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.10
Rot. Bonds6

About N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide

N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 75374320) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
PubChem CID75374320
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(C)C(C)SCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O2S/c1-11(2)12(3)21-10-15(19)17-14-8-6-7-13(9-14)16(20)18(4)5/h6-9,11-12H,10H2,1-5H3,(H,17,19)
InChIKeyVYCOOHSUDQZSAM-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17232267
3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
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3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
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N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
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N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide (CID 75374320) is N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide is CC(C)C(C)SCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is VYCOOHSUDQZSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)12(3)21-10-15(19)17-14-8-6-7-13(9-14)16(20)18(4)5/h6-9,11-12H,10H2,1-5H3,(H,17,19).
What are the key properties of N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 308.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 75374320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).