methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate

C16H17NO3S — CID 139762755

IUPACmethyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(Cc1ccc(C)s1)NC(=O)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-11-8-9-13(21-11)10-14(16(19)20-2)17-15(18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyCULRHQYWGLPBBR-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.57
Rot. Bonds5

About methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate

methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate (PubChem CID 139762755) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate
PubChem CID139762755
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Namemethyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(Cc1ccc(C)s1)NC(=O)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-11-8-9-13(21-11)10-14(16(19)20-2)17-15(18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyCULRHQYWGLPBBR-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
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methyl (2S)-2-benzamido-3-(2,6-dibromophenyl)propanoate
CID 162524147
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
methyl 2-benzamido-3-(5-bromofuran-2-yl)propanoate
CID 139762771
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
methyl 2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]butanoate
CID 113292625
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl 2-acetamido-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propanoate
CID 103254230

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate?
The IUPAC name of methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate (CID 139762755) is methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate.
What is the SMILES notation for methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate?
The canonical SMILES for methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate is COC(=O)C(Cc1ccc(C)s1)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate?
The InChIKey is CULRHQYWGLPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-8-9-13(21-11)10-14(16(19)20-2)17-15(18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate?
methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate has a molecular weight of 303.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate is sourced from PubChem (CID 139762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).