(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide

C14H11Br2NOS — CID 26524126

IUPAC(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C14H11Br2NOS/c1-9-2-5-12(11(15)8-9)17-14(18)7-4-10-3-6-13(16)19-10/h2-8H,1H3,(H,17,18)/b7-4+
InChIKeyDSHDTVNSJFMMPN-QPJJXVBHSA-N
MW401.12 g/mol
LogP5.23
Rot. Bonds3

About (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide

(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide (PubChem CID 26524126) has the molecular formula C14H11Br2NOS and a molecular weight of 401.12 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
PubChem CID26524126
Molecular FormulaC14H11Br2NOS
Molecular Weight401.12 g/mol
Exact Mass398.89
IUPAC Name(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C14H11Br2NOS/c1-9-2-5-12(11(15)8-9)17-14(18)7-4-10-3-6-13(16)19-10/h2-8H,1H3,(H,17,18)/b7-4+
InChIKeyDSHDTVNSJFMMPN-QPJJXVBHSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.23
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-(5-bromothiophen-2-yl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575097
(E)-3-(5-bromothiophen-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)prop-2-enamide
CID 26811859
(E)-3-(5-bromothiophen-2-yl)-N-(2-chloro-5-methylsulfonylphenyl)prop-2-enamide
CID 26860253
N-(2-bromo-4-methylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 4653770
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
5-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid
CID 43474334
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252
(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
CID 55715150
(E)-3-(5-bromothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 31508611
(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498177
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide (CID 26524126) is (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(Br)s2)c(Br)c1.
What is the InChIKey of (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The InChIKey is DSHDTVNSJFMMPN-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H11Br2NOS/c1-9-2-5-12(11(15)8-9)17-14(18)7-4-10-3-6-13(16)19-10/h2-8H,1H3,(H,17,18)/b7-4+.
What are the key properties of (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide has a molecular weight of 401.12 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 26524126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).