3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C12H17BrN2O3S — CID 60775997

IUPAC3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1sccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-14(2)10(16)8-15(5-6-18-3)12(17)11-9(13)4-7-19-11/h4,7H,5-6,8H2,1-3H3
InChIKeySVCVVVSFYFWNMP-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.69
Rot. Bonds6

About 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 60775997) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID60775997
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1sccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-14(2)10(16)8-15(5-6-18-3)12(17)11-9(13)4-7-19-11/h4,7H,5-6,8H2,1-3H3
InChIKeySVCVVVSFYFWNMP-UHFFFAOYSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-3-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 77007089
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639
3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102978871
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 104897454

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 60775997) is 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(CC(=O)N(C)C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is SVCVVVSFYFWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-14(2)10(16)8-15(5-6-18-3)12(17)11-9(13)4-7-19-11/h4,7H,5-6,8H2,1-3H3.
What are the key properties of 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 349.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60775997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).