N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide

C20H15ClN2O2S — CID 1315625

IUPACN-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H15ClN2O2S/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyLZYDHRXTPVDKTM-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.31
Rot. Bonds5

About N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide

N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 1315625) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
PubChem CID1315625
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H15ClN2O2S/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyLZYDHRXTPVDKTM-UHFFFAOYSA-N
XLogP5.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 4655342
N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520599
N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 38973808
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1333709
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
N-[3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31516122
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide (CID 1315625) is N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide is O=C(C=Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is LZYDHRXTPVDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1315625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).