3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide

C12H19BrN2OS — CID 102978871

IUPAC3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1sccc1Br
InChIInChI=1S/C12H19BrN2OS/c1-4-15(8-5-7-14(2)3)12(16)11-10(13)6-9-17-11/h6,9H,4-5,7-8H2,1-3H3
InChIKeyORWODBAZQFNNBP-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.92
Rot. Bonds6

About 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide

3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide (PubChem CID 102978871) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
PubChem CID102978871
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1sccc1Br
InChIInChI=1S/C12H19BrN2OS/c1-4-15(8-5-7-14(2)3)12(16)11-10(13)6-9-17-11/h6,9H,4-5,7-8H2,1-3H3
InChIKeyORWODBAZQFNNBP-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
CID 60778343
3-bromo-N-propyl-N-prop-2-ynylthiophene-2-carboxamide
CID 78970456
3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
CID 119034216
2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 102992909
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60775997
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide (CID 102978871) is 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide is CCN(CCCN(C)C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is ORWODBAZQFNNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-4-15(8-5-7-14(2)3)12(16)11-10(13)6-9-17-11/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide?
3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 102978871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).