2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

C18H21NO3S — CID 46432760

IUPAC2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(SC)cc2)c1OC
InChIInChI=1S/C18H21NO3S/c1-12(13-8-10-14(23-4)11-9-13)19-18(20)15-6-5-7-16(21-2)17(15)22-3/h5-12H,1-4H3,(H,19,20)
InChIKeyMPNLFBKKGRWNMA-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.92
Rot. Bonds6

About 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 46432760) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID46432760
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(SC)cc2)c1OC
InChIInChI=1S/C18H21NO3S/c1-12(13-8-10-14(23-4)11-9-13)19-18(20)15-6-5-7-16(21-2)17(15)22-3/h5-12H,1-4H3,(H,19,20)
InChIKeyMPNLFBKKGRWNMA-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 46432760) is 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ccc(SC)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is MPNLFBKKGRWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12(13-8-10-14(23-4)11-9-13)19-18(20)15-6-5-7-16(21-2)17(15)22-3/h5-12H,1-4H3,(H,19,20).
What are the key properties of 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 46432760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).