N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide

C20H24N2O3S — CID 134797067

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide
SMILESCOCCCNC(=O)CNC(=O)c1cccc(-c2ccc(SC)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-25-12-4-11-21-19(23)14-22-20(24)17-6-3-5-16(13-17)15-7-9-18(26-2)10-8-15/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySLLVOHHTFRAMRD-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.96
Rot. Bonds9

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide (PubChem CID 134797067) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide
PubChem CID134797067
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide
SMILESCOCCCNC(=O)CNC(=O)c1cccc(-c2ccc(SC)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-25-12-4-11-21-19(23)14-22-20(24)17-6-3-5-16(13-17)15-7-9-18(26-2)10-8-15/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySLLVOHHTFRAMRD-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 134801377
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 134800698
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 134803176
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513841
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 51218463
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide (CID 134797067) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide is COCCCNC(=O)CNC(=O)c1cccc(-c2ccc(SC)cc2)c1.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide?
The InChIKey is SLLVOHHTFRAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-12-4-11-21-19(23)14-22-20(24)17-6-3-5-16(13-17)15-7-9-18(26-2)10-8-15/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 134797067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).