5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C16H25BrN2O2S — CID 55873207

IUPAC5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCCC(CC)CN(CC)C(=O)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C16H25BrN2O2S/c1-5-12(6-2)10-19(7-3)15(20)11-18(4)16(21)13-8-9-14(17)22-13/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyPMTWALUFXTUNAZ-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.87
Rot. Bonds8

About 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 55873207) has the molecular formula C16H25BrN2O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID55873207
Molecular FormulaC16H25BrN2O2S
Molecular Weight389.36 g/mol
Exact Mass388.08
IUPAC Name5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCCC(CC)CN(CC)C(=O)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C16H25BrN2O2S/c1-5-12(6-2)10-19(7-3)15(20)11-18(4)16(21)13-8-9-14(17)22-13/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyPMTWALUFXTUNAZ-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
CID 55892724
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 60653697
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-3-methylpentanoic acid
CID 119212149
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
5-bromo-N-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 119501024
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 119640733
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 55873207) is 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CCC(CC)CN(CC)C(=O)CN(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PMTWALUFXTUNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2S/c1-5-12(6-2)10-19(7-3)15(20)11-18(4)16(21)13-8-9-14(17)22-13/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55873207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).