4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide

C18H21N3O2S — CID 91843825

IUPAC4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
SMILESCN(CCSc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H21N3O2S/c1-21(11-12-24-16-5-3-2-4-6-16)13-17(22)20-15-9-7-14(8-10-15)18(19)23/h2-10H,11-13H2,1H3,(H2,19,23)(H,20,22)
InChIKeyHGIHFYJSOOCHHL-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.45
Rot. Bonds8

About 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide

4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide (PubChem CID 91843825) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
PubChem CID91843825
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
SMILESCN(CCSc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H21N3O2S/c1-21(11-12-24-16-5-3-2-4-6-16)13-17(22)20-15-9-7-14(8-10-15)18(19)23/h2-10H,11-13H2,1H3,(H2,19,23)(H,20,22)
InChIKeyHGIHFYJSOOCHHL-UHFFFAOYSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
CID 78862578
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
CID 78964466
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide (CID 91843825) is 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide is CN(CCSc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide?
The InChIKey is HGIHFYJSOOCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-21(11-12-24-16-5-3-2-4-6-16)13-17(22)20-15-9-7-14(8-10-15)18(19)23/h2-10H,11-13H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide?
4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 91843825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).