N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

C21H20N2O4S — CID 1428071

IUPACN-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H20N2O4S/c1-26-17-13-16(23-21(25)19-9-6-10-28-19)18(27-2)12-15(17)22-20(24)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMWFQAWHBNCZMRA-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.20
Rot. Bonds7

About N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1428071) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1428071
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H20N2O4S/c1-26-17-13-16(23-21(25)19-9-6-10-28-19)18(27-2)12-15(17)22-20(24)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMWFQAWHBNCZMRA-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (CID 1428071) is N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is MWFQAWHBNCZMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-17-13-16(23-21(25)19-9-6-10-28-19)18(27-2)12-15(17)22-20(24)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1428071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).