5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C18H21BrN2O2S — CID 55822167

IUPAC5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C18H21BrN2O2S/c1-18(2,3)12-5-7-13(8-6-12)20-16(22)11-21(4)17(23)14-9-10-15(19)24-14/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyMVSMEVLYCXUPHG-UHFFFAOYSA-N
MW409.35 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 55822167) has the molecular formula C18H21BrN2O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID55822167
Molecular FormulaC18H21BrN2O2S
Molecular Weight409.35 g/mol
Exact Mass408.05
IUPAC Name5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C18H21BrN2O2S/c1-18(2,3)12-5-7-13(8-6-12)20-16(22)11-21(4)17(23)14-9-10-15(19)24-14/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyMVSMEVLYCXUPHG-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47276155
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626
5-bromo-N-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 119501024
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
5-bromo-N-methyl-N-[2-[(4-methyl-2-oxochromen-7-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112844733
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 119640733
5-bromo-N-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55841182
5-bromo-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55832973
5-bromo-N-[2-(5-bromo-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55905137
5-bromo-N-methyl-N-[2-oxo-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 78897648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 55822167) is 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MVSMEVLYCXUPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2S/c1-18(2,3)12-5-7-13(8-6-12)20-16(22)11-21(4)17(23)14-9-10-15(19)24-14/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 409.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55822167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).