2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide

C18H20N2O4S — CID 99956456

IUPAC2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C18H20N2O4S/c1-11(25-12-8-9-15(23-2)16(10-12)24-3)18(22)20-14-7-5-4-6-13(14)17(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)/t11-/m1/s1
InChIKeyZMZQYCMBTDEDCM-LLVKDONJSA-N
MW360.44 g/mol
LogP2.92
Rot. Bonds7

About 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide

2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 99956456) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID99956456
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C18H20N2O4S/c1-11(25-12-8-9-15(23-2)16(10-12)24-3)18(22)20-14-7-5-4-6-13(14)17(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)/t11-/m1/s1
InChIKeyZMZQYCMBTDEDCM-LLVKDONJSA-N
XLogP2.92
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
methyl 3-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-2-methylbenzoate
CID 99952176
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 43876035
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 94019708
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28565056
2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide
CID 22782366
dimethyl 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzene-1,4-dicarboxylate
CID 94012426
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide (CID 99956456) is 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide is COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is ZMZQYCMBTDEDCM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11(25-12-8-9-15(23-2)16(10-12)24-3)18(22)20-14-7-5-4-6-13(14)17(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide?
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 99956456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).