N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

C20H18N2O2S — CID 4526208

IUPACN-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC(NCc1ccccc1)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C20H18N2O2S/c23-18(16-10-5-2-6-11-16)19(21-14-15-8-3-1-4-9-15)22-20(24)17-12-7-13-25-17/h1-13,19,21H,14H2,(H,22,24)
InChIKeyOCMHFVLFNJDGDG-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.48
Rot. Bonds7

About N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (PubChem CID 4526208) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
PubChem CID4526208
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC(NCc1ccccc1)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C20H18N2O2S/c23-18(16-10-5-2-6-11-16)19(21-14-15-8-3-1-4-9-15)22-20(24)17-12-7-13-25-17/h1-13,19,21H,14H2,(H,22,24)
InChIKeyOCMHFVLFNJDGDG-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-benzylthiophene-2-carboxamide
CID 574227
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 805573
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide
CID 7405169
N-[1-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109877
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (CID 4526208) is N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is O=C(NC(NCc1ccccc1)C(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The InChIKey is OCMHFVLFNJDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-18(16-10-5-2-6-11-16)19(21-14-15-8-3-1-4-9-15)22-20(24)17-12-7-13-25-17/h1-13,19,21H,14H2,(H,22,24).
What are the key properties of N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4526208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).