4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide

C12H15Br2NO2S — CID 103800012

IUPAC4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESCOCCC1(CNC(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C12H15Br2NO2S/c1-17-5-4-12(2-3-12)7-15-11(16)9-6-8(13)10(14)18-9/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyKFHHWBXVFWIXAY-UHFFFAOYSA-N
MW397.13 g/mol
LogP3.82
Rot. Bonds6

About 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide

4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide (PubChem CID 103800012) has the molecular formula C12H15Br2NO2S and a molecular weight of 397.13 g/mol. Its IUPAC name is 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
PubChem CID103800012
Molecular FormulaC12H15Br2NO2S
Molecular Weight397.13 g/mol
Exact Mass394.92
IUPAC Name4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESCOCCC1(CNC(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C12H15Br2NO2S/c1-17-5-4-12(2-3-12)7-15-11(16)9-6-8(13)10(14)18-9/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyKFHHWBXVFWIXAY-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
1-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309059
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 103799996
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
1,1-diethyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103800433
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide (CID 103800012) is 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide is COCCC1(CNC(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The InChIKey is KFHHWBXVFWIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S/c1-17-5-4-12(2-3-12)7-15-11(16)9-6-8(13)10(14)18-9/h6H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide has a molecular weight of 397.13 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 103800012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).