2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

C22H22N2O2S — CID 2930937

IUPAC2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C(N)=O
InChIInChI=1S/C22H22N2O2S/c1-3-17-14(2)27-22(19(17)20(23)25)24-21(26)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyDWIDQQDDHJJEHM-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.49
Rot. Bonds6

About 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 2930937) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID2930937
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C(N)=O
InChIInChI=1S/C22H22N2O2S/c1-3-17-14(2)27-22(19(17)20(23)25)24-21(26)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyDWIDQQDDHJJEHM-UHFFFAOYSA-N
XLogP4.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 2930937) is 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C(N)=O.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is DWIDQQDDHJJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-3-17-14(2)27-22(19(17)20(23)25)24-21(26)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 2930937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).