N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide

C18H20N2O2S — CID 2996847

IUPACN-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C18H20N2O2S/c1-3-8-17(21)19-14-10-5-6-11-15(14)20-18(22)13-9-4-7-12-16(13)23-2/h4-7,9-12H,3,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZPGVBOLHMUCJIH-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide

N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide (PubChem CID 2996847) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
PubChem CID2996847
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C18H20N2O2S/c1-3-8-17(21)19-14-10-5-6-11-15(14)20-18(22)13-9-4-7-12-16(13)23-2/h4-7,9-12H,3,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZPGVBOLHMUCJIH-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
N-(2-fluorophenyl)butanamide
CID 849021
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
N-butyl-2-methylsulfanylbenzamide
CID 59510338
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide (CID 2996847) is N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide is CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SC.
What is the InChIKey of N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is ZPGVBOLHMUCJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-8-17(21)19-14-10-5-6-11-15(14)20-18(22)13-9-4-7-12-16(13)23-2/h4-7,9-12H,3,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide?
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 328.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 2996847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).