methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate

C20H17NO3S — CID 174534965

IUPACmethyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cc2cccs2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-24-20(23)17-10-9-14(12-16-8-5-11-25-16)13-18(17)21-19(22)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,22)
InChIKeyVKPAGSFATVDORF-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.38
Rot. Bonds5

About methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate

methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate (PubChem CID 174534965) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate
PubChem CID174534965
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Namemethyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cc2cccs2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-24-20(23)17-10-9-14(12-16-8-5-11-25-16)13-18(17)21-19(22)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,22)
InChIKeyVKPAGSFATVDORF-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-cyanobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
CID 70006000
methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
CID 15192186
2-benzamido-5-[(4-benzamido-3-carboxyphenyl)methyl]benzoic acid
CID 2261273
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
2-benzamido-4-(phenoxymethyl)benzoic acid
CID 69330554
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-acetamido-4-(iodooxymethyl)benzoate
CID 59363425
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
methyl 2-[[4-(cyanomethyl)benzoyl]amino]benzoate
CID 82179452
methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate
CID 66976762
dimethyl 2-[[2-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 4248824

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate?
The IUPAC name of methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate (CID 174534965) is methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate?
The canonical SMILES for methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate is COC(=O)c1ccc(Cc2cccs2)cc1NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate?
The InChIKey is VKPAGSFATVDORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-24-20(23)17-10-9-14(12-16-8-5-11-25-16)13-18(17)21-19(22)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,22).
What are the key properties of methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate?
methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate has a molecular weight of 351.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate is sourced from PubChem (CID 174534965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).