(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide

C19H13Cl2NOS — CID 16577559

IUPAC(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1cccs1
InChIInChI=1S/C19H13Cl2NOS/c20-15-9-7-13(12-16(15)21)8-10-19(23)22-17-5-2-1-4-14(17)18-6-3-11-24-18/h1-12H,(H,22,23)/b10-8+
InChIKeyYKGZACBQTDTNRR-CSKARUKUSA-N
MW374.29 g/mol
LogP6.37
Rot. Bonds4

About (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide (PubChem CID 16577559) has the molecular formula C19H13Cl2NOS and a molecular weight of 374.29 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
PubChem CID16577559
Molecular FormulaC19H13Cl2NOS
Molecular Weight374.29 g/mol
Exact Mass373.01
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1cccs1
InChIInChI=1S/C19H13Cl2NOS/c20-15-9-7-13(12-16(15)21)8-10-19(23)22-17-5-2-1-4-14(17)18-6-3-11-24-18/h1-12H,(H,22,23)/b10-8+
InChIKeyYKGZACBQTDTNRR-CSKARUKUSA-N
XLogP6.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.29
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 108766372
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568053
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313
2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43171494
(E)-3-(1-benzyltriazol-4-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568121
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide
CID 16577558
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4184511
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide (CID 16577559) is (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1cccs1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
The InChIKey is YKGZACBQTDTNRR-CSKARUKUSA-N. The full InChI is InChI=1S/C19H13Cl2NOS/c20-15-9-7-13(12-16(15)21)8-10-19(23)22-17-5-2-1-4-14(17)18-6-3-11-24-18/h1-12H,(H,22,23)/b10-8+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide has a molecular weight of 374.29 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 16577559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).