2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide

C23H24N2O5S — CID 28565056

IUPAC2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-15(31-17-10-11-20(28-2)21(13-17)29-3)22(26)25-19-9-5-4-8-18(19)23(27)24-14-16-7-6-12-30-16/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,26)/t15-/m0/s1
InChIKeyRGUHXXCFZOVCRK-HNNXBMFYSA-N
MW440.52 g/mol
LogP4.35
Rot. Bonds9

About 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 28565056) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID28565056
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-15(31-17-10-11-20(28-2)21(13-17)29-3)22(26)25-19-9-5-4-8-18(19)23(27)24-14-16-7-6-12-30-16/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,26)/t15-/m0/s1
InChIKeyRGUHXXCFZOVCRK-HNNXBMFYSA-N
XLogP4.35
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956456
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 94019708
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
methyl 3-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-2-methylbenzoate
CID 99952176
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 43876035
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 28565056) is 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide is COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC.
What is the InChIKey of 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RGUHXXCFZOVCRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15(31-17-10-11-20(28-2)21(13-17)29-3)22(26)25-19-9-5-4-8-18(19)23(27)24-14-16-7-6-12-30-16/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,26)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 440.52 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 28565056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).