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

C24H16ClNO3S — CID 18830468

IUPACN-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H16ClNO3S/c25-20-5-2-1-4-19(20)22-14-12-18(29-22)11-13-21(27)16-7-9-17(10-8-16)26-24(28)23-6-3-15-30-23/h1-15H,(H,26,28)/b13-11+
InChIKeyPRIDJWGLBUBSIV-ACCUITESSA-N
MW433.92 g/mol
LogP6.81
Rot. Bonds6

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

N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18830468) has the molecular formula C24H16ClNO3S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
PubChem CID18830468
Molecular FormulaC24H16ClNO3S
Molecular Weight433.92 g/mol
Exact Mass433.05
IUPAC NameN-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H16ClNO3S/c25-20-5-2-1-4-19(20)22-14-12-18(29-22)11-13-21(27)16-7-9-17(10-8-16)26-24(28)23-6-3-15-30-23/h1-15H,(H,26,28)/b13-11+
InChIKeyPRIDJWGLBUBSIV-ACCUITESSA-N
XLogP6.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.92
LogP ≤ 56.81
H-Bond Donors ≤ 51
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-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830570
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
5-(2-chlorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
CID 9085411
N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 4655342
N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 2865585
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 2953430
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
CID 28669155
(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 45051020
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylbenzoic acid
CID 28686356

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide (CID 18830468) is N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide is O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PRIDJWGLBUBSIV-ACCUITESSA-N. The full InChI is InChI=1S/C24H16ClNO3S/c25-20-5-2-1-4-19(20)22-14-12-18(29-22)11-13-21(27)16-7-9-17(10-8-16)26-24(28)23-6-3-15-30-23/h1-15H,(H,26,28)/b13-11+.
What are the key properties of N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18830468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).