5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide

C10H14BrNO3S — CID 79989675

IUPAC5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(C)c(Br)s1)OC
InChIInChI=1S/C10H14BrNO3S/c1-6-4-7(16-9(6)11)10(13)12-5-8(14-2)15-3/h4,8H,5H2,1-3H3,(H,12,13)
InChIKeyPWCGKLNJVRYSRA-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.17
Rot. Bonds5

About 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide (PubChem CID 79989675) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
PubChem CID79989675
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(C)c(Br)s1)OC
InChIInChI=1S/C10H14BrNO3S/c1-6-4-7(16-9(6)11)10(13)12-5-8(14-2)15-3/h4,8H,5H2,1-3H3,(H,12,13)
InChIKeyPWCGKLNJVRYSRA-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 113252510
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(2,2-diethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78909936
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639
3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide (CID 79989675) is 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide is COC(CNC(=O)c1cc(C)c(Br)s1)OC.
What is the InChIKey of 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide?
The InChIKey is PWCGKLNJVRYSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-6-4-7(16-9(6)11)10(13)12-5-8(14-2)15-3/h4,8H,5H2,1-3H3,(H,12,13).
What are the key properties of 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide has a molecular weight of 308.20 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79989675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).