2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide

C20H25N3O2S — CID 119525363

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C20H25N3O2S/c1-13(2)14-7-9-15(10-8-14)17(21)11-23-20(25)16-5-3-4-6-18(16)26-12-19(22)24/h3-10,13,17H,11-12,21H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyVWHWPQDWKFYLIP-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.82
Rot. Bonds8

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 119525363) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID119525363
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C20H25N3O2S/c1-13(2)14-7-9-15(10-8-14)17(21)11-23-20(25)16-5-3-4-6-18(16)26-12-19(22)24/h3-10,13,17H,11-12,21H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyVWHWPQDWKFYLIP-UHFFFAOYSA-N
XLogP2.82
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-(2-amino-2-oxoethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9295788
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide (CID 119525363) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(C(N)CNC(=O)c2ccccc2SCC(N)=O)cc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is VWHWPQDWKFYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13(2)14-7-9-15(10-8-14)17(21)11-23-20(25)16-5-3-4-6-18(16)26-12-19(22)24/h3-10,13,17H,11-12,21H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 371.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 119525363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).