5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide

C16H24BrN3O3S — CID 55892724

IUPAC5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C16H24BrN3O3S/c1-4-8-18-14(21)10-20(9-5-2)15(22)11-19(3)16(23)12-6-7-13(17)24-12/h6-7H,4-5,8-11H2,1-3H3,(H,18,21)
InChIKeyQGSYGCCVECJPFX-UHFFFAOYSA-N
MW418.36 g/mol
LogP2.35
Rot. Bonds9

About 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide

5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide (PubChem CID 55892724) has the molecular formula C16H24BrN3O3S and a molecular weight of 418.36 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
PubChem CID55892724
Molecular FormulaC16H24BrN3O3S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC Name5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C16H24BrN3O3S/c1-4-8-18-14(21)10-20(9-5-2)15(22)11-19(3)16(23)12-6-7-13(17)24-12/h6-7H,4-5,8-11H2,1-3H3,(H,18,21)
InChIKeyQGSYGCCVECJPFX-UHFFFAOYSA-N
XLogP2.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55873207
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 119640733
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
5-bromo-N-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 47051943
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-3-methylpentanoic acid
CID 119212149
6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741239
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide (CID 55892724) is 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide is CCCNC(=O)CN(CCC)C(=O)CN(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is QGSYGCCVECJPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3S/c1-4-8-18-14(21)10-20(9-5-2)15(22)11-19(3)16(23)12-6-7-13(17)24-12/h6-7H,4-5,8-11H2,1-3H3,(H,18,21).
What are the key properties of 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide?
5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 418.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55892724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).