3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide

C24H24N2O2S — CID 134800698

IUPAC3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
SMILESCSc1ccc(-c2cccc(C(=O)NCC(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O2S/c1-29-22-12-10-19(11-13-22)20-8-5-9-21(16-20)24(28)26-17-23(27)25-15-14-18-6-3-2-4-7-18/h2-13,16H,14-15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyHKVAVHIPWTVQKE-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.16
Rot. Bonds8

About 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide

3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide (PubChem CID 134800698) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
PubChem CID134800698
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
SMILESCSc1ccc(-c2cccc(C(=O)NCC(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O2S/c1-29-22-12-10-19(11-13-22)20-8-5-9-21(16-20)24(28)26-17-23(27)25-15-14-18-6-3-2-4-7-18/h2-13,16H,14-15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyHKVAVHIPWTVQKE-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 134801377
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide
CID 134797067
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 134803176
N-[2-oxo-2-(2-phenylethylamino)ethyl]naphthalene-2-carboxamide
CID 27670981
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
2-[[N,N'-dimethyl-N-[(4-methylsulfanylphenyl)methyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111299181
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
CID 169198623

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The IUPAC name of 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide (CID 134800698) is 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide is CSc1ccc(-c2cccc(C(=O)NCC(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The InChIKey is HKVAVHIPWTVQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-29-22-12-10-19(11-13-22)20-8-5-9-21(16-20)24(28)26-17-23(27)25-15-14-18-6-3-2-4-7-18/h2-13,16H,14-15,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide is sourced from PubChem (CID 134800698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).