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

C19H16N2O2S — CID 3162290

IUPACN-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N2O2S/c22-18(13-14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyNIYWFOYEZUZUGW-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.18
Rot. Bonds5

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

N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 3162290) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID3162290
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N2O2S/c22-18(13-14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyNIYWFOYEZUZUGW-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (CID 3162290) is N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is NIYWFOYEZUZUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(13-14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3162290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).