(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide

C10H9BrClNOS — CID 115594447

IUPAC(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide
SMILESC=C(Br)CNC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C10H9BrClNOS/c1-7(11)6-13-10(14)5-3-8-2-4-9(12)15-8/h2-5H,1,6H2,(H,13,14)/b5-3+
InChIKeyDGPANNMNBQZMPN-HWKANZROSA-N
MW306.61 g/mol
LogP3.44
Rot. Bonds4

About (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide

(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide (PubChem CID 115594447) has the molecular formula C10H9BrClNOS and a molecular weight of 306.61 g/mol. Its IUPAC name is (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide
PubChem CID115594447
Molecular FormulaC10H9BrClNOS
Molecular Weight306.61 g/mol
Exact Mass304.93
IUPAC Name(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide
SMILESC=C(Br)CNC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C10H9BrClNOS/c1-7(11)6-13-10(14)5-3-8-2-4-9(12)15-8/h2-5H,1,6H2,(H,13,14)/b5-3+
InChIKeyDGPANNMNBQZMPN-HWKANZROSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 53.44
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)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 47439352
(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43394522
3-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]butanoic acid
CID 43360973
methyl 3-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 113358679
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 24608482
3-(5-chlorothiophen-2-yl)-N-cyanoprop-2-enamide
CID 79194152
4-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-3-methoxybutanoic acid
CID 103152383
4-[(E)-3-(2-bromoprop-2-enylamino)-3-oxoprop-1-enyl]benzamide
CID 115672232
(E)-3-(5-chlorothiophen-2-yl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 18206351
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 92532745
(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 9442219
(E)-3-(5-chlorothiophen-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 102673587

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide (CID 115594447) is (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide is C=C(Br)CNC(=O)/C=C/c1ccc(Cl)s1.
What is the InChIKey of (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
The InChIKey is DGPANNMNBQZMPN-HWKANZROSA-N. The full InChI is InChI=1S/C10H9BrClNOS/c1-7(11)6-13-10(14)5-3-8-2-4-9(12)15-8/h2-5H,1,6H2,(H,13,14)/b5-3+.
What are the key properties of (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide has a molecular weight of 306.61 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 115594447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).