N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide

C24H17ClN2O3S — CID 4655342

IUPACN-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H17ClN2O3S/c25-17-8-6-16(7-9-17)21-12-10-20(30-21)11-13-23(28)26-18-3-1-4-19(15-18)27-24(29)22-5-2-14-31-22/h1-15H,(H,26,28)(H,27,29)
InChIKeyKYSNSCHQRFPLJR-UHFFFAOYSA-N
MW448.93 g/mol
LogP6.57
Rot. Bonds6

About N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide

N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 4655342) has the molecular formula C24H17ClN2O3S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
PubChem CID4655342
Molecular FormulaC24H17ClN2O3S
Molecular Weight448.93 g/mol
Exact Mass448.06
IUPAC NameN-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H17ClN2O3S/c25-17-8-6-16(7-9-17)21-12-10-20(30-21)11-13-23(28)26-18-3-1-4-19(15-18)27-24(29)22-5-2-14-31-22/h1-15H,(H,26,28)(H,27,29)
InChIKeyKYSNSCHQRFPLJR-UHFFFAOYSA-N
XLogP6.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830570
N-[3-[[(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 21167590
2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17319130
2-chloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17117694
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
3-[5-(4-chlorophenyl)furan-2-yl]-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]prop-2-enamide
CID 3270147
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 3988299
3-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686262
3-[5-(4-chlorophenyl)furan-2-yl]-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
CID 3989405

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide (CID 4655342) is N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide is O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is KYSNSCHQRFPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S/c25-17-8-6-16(7-9-17)21-12-10-20(30-21)11-13-23(28)26-18-3-1-4-19(15-18)27-24(29)22-5-2-14-31-22/h1-15H,(H,26,28)(H,27,29).
What are the key properties of N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide?
N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4655342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).