N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide

C16H24N2O2S — CID 96538513

IUPACN,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
SMILESCC(C)[C@@H](C)SCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C16H24N2O2S/c1-11(2)12(3)21-10-15(19)17-14-8-6-13(7-9-14)16(20)18(4)5/h6-9,11-12H,10H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyJSTHZVSMODCMIV-GFCCVEGCSA-N
MW308.45 g/mol
LogP3.10
Rot. Bonds6

About N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide

N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 96538513) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID96538513
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
SMILESCC(C)[C@@H](C)SCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C16H24N2O2S/c1-11(2)12(3)21-10-15(19)17-14-8-6-13(7-9-14)16(20)18(4)5/h6-9,11-12H,10H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyJSTHZVSMODCMIV-GFCCVEGCSA-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

N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide (CID 96538513) is N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide is CC(C)[C@@H](C)SCC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is JSTHZVSMODCMIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)12(3)21-10-15(19)17-14-8-6-13(7-9-14)16(20)18(4)5/h6-9,11-12H,10H2,1-5H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]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-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 96538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).