4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide

C14H22Br2N2OS — CID 102993490

IUPAC4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H22Br2N2OS/c1-4-17(5-2)8-7-9-18(6-3)14(19)12-10-11(15)13(16)20-12/h10H,4-9H2,1-3H3
InChIKeyXSMWRXMIPQJFIK-UHFFFAOYSA-N
MW426.22 g/mol
LogP4.47
Rot. Bonds8

About 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide

4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide (PubChem CID 102993490) has the molecular formula C14H22Br2N2OS and a molecular weight of 426.22 g/mol. Its IUPAC name is 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
PubChem CID102993490
Molecular FormulaC14H22Br2N2OS
Molecular Weight426.22 g/mol
Exact Mass423.98
IUPAC Name4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H22Br2N2OS/c1-4-17(5-2)8-7-9-18(6-3)14(19)12-10-11(15)13(16)20-12/h10H,4-9H2,1-3H3
InChIKeyXSMWRXMIPQJFIK-UHFFFAOYSA-N
XLogP4.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990935
4,5-dibromo-N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 112723253
4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78968207
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 81483467
4,5-dibromo-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 112727891
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 78968180
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide
CID 167975051
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635
4,5-dibromo-N-[(4-methylphenyl)methyl]-N-propylthiophene-2-carboxamide
CID 78909790

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide (CID 102993490) is 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide is CCN(CC)CCCN(CC)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is XSMWRXMIPQJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2OS/c1-4-17(5-2)8-7-9-18(6-3)14(19)12-10-11(15)13(16)20-12/h10H,4-9H2,1-3H3.
What are the key properties of 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide?
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 426.22 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 102993490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).