methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate

C20H17NO3S — CID 7166897

IUPACmethyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-24-20(23)16-12-13-25-19(16)21-18(22)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,21,22)
InChIKeyMSKJAYYIYGGZFQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.31
Rot. Bonds5

About methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate

methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate (PubChem CID 7166897) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
PubChem CID7166897
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Namemethyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-24-20(23)16-12-13-25-19(16)21-18(22)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,21,22)
InChIKeyMSKJAYYIYGGZFQ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
CID 108768055
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 7166886
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
CID 9445948
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241
methyl 2-[(2,2-diphenylacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 4244195
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate (CID 7166897) is methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is MSKJAYYIYGGZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-24-20(23)16-12-13-25-19(16)21-18(22)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,21,22).
What are the key properties of methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate?
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 7166897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).