2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide

C19H23BrN2OS — CID 9299712

IUPAC2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1c(C)cccc1CC)Cc1ccc(Br)s1
InChIInChI=1S/C19H23BrN2OS/c1-4-11-22(12-16-9-10-17(20)24-16)13-18(23)21-19-14(3)7-6-8-15(19)5-2/h4,6-10H,1,5,11-13H2,2-3H3,(H,21,23)
InChIKeyCSYPIINWRQOGPA-UHFFFAOYSA-N
MW407.38 g/mol
LogP5.01
Rot. Bonds8

About 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 9299712) has the molecular formula C19H23BrN2OS and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID9299712
Molecular FormulaC19H23BrN2OS
Molecular Weight407.38 g/mol
Exact Mass406.07
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1c(C)cccc1CC)Cc1ccc(Br)s1
InChIInChI=1S/C19H23BrN2OS/c1-4-11-22(12-16-9-10-17(20)24-16)13-18(23)21-19-14(3)7-6-8-15(19)5-2/h4,6-10H,1,5,11-13H2,2-3H3,(H,21,23)
InChIKeyCSYPIINWRQOGPA-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(3-methoxyphenyl)acetamide
CID 9299825
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(4-fluorophenyl)acetamide
CID 9299962
3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide
CID 15997659
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 30962932
2-[benzyl(prop-2-enyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077907
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
N-(2-bromo-4,6-difluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetamide
CID 78828504
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18191770
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8694053

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 9299712) is 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide is C=CCN(CC(=O)Nc1c(C)cccc1CC)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is CSYPIINWRQOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2OS/c1-4-11-22(12-16-9-10-17(20)24-16)13-18(23)21-19-14(3)7-6-8-15(19)5-2/h4,6-10H,1,5,11-13H2,2-3H3,(H,21,23).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 407.38 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 9299712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).