4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide

C12H15Br2NOS — CID 78906806

IUPAC4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2NOS/c13-9-6-10(17-11(9)14)12(16)15-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,15,16)
InChIKeyUUWMDGHZAJMLHI-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.58
Rot. Bonds3

About 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide

4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide (PubChem CID 78906806) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
PubChem CID78906806
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2NOS/c13-9-6-10(17-11(9)14)12(16)15-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,15,16)
InChIKeyUUWMDGHZAJMLHI-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 64929121
4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 80537490
4,5-dibromo-N-[[2-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 113276196
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80536544
tert-butyl (3S)-3-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 69106743
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide (CID 78906806) is 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCCC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
The InChIKey is UUWMDGHZAJMLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c13-9-6-10(17-11(9)14)12(16)15-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,15,16).
What are the key properties of 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide has a molecular weight of 381.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 78906806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).