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

C15H19Br2NOS — CID 80536544

IUPAC4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1cc(Br)c(Br)s1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C15H19Br2NOS/c16-12-8-13(20-14(12)17)15(19)18(11-6-7-11)9-10-4-2-1-3-5-10/h8,10-11H,1-7,9H2
InChIKeyKFJNVSGCXPQJEH-UHFFFAOYSA-N
MW421.20 g/mol
LogP5.46
Rot. Bonds4

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

4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 80536544) has the molecular formula C15H19Br2NOS and a molecular weight of 421.20 g/mol. Its IUPAC name is 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID80536544
Molecular FormulaC15H19Br2NOS
Molecular Weight421.20 g/mol
Exact Mass418.96
IUPAC Name4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1cc(Br)c(Br)s1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C15H19Br2NOS/c16-12-8-13(20-14(12)17)15(19)18(11-6-7-11)9-10-4-2-1-3-5-10/h8,10-11H,1-7,9H2
InChIKeyKFJNVSGCXPQJEH-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.20
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366
4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 78929380
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 80537895
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 80537937
5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
CID 60956316
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide (CID 80536544) is 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide is O=C(c1cc(Br)c(Br)s1)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is KFJNVSGCXPQJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NOS/c16-12-8-13(20-14(12)17)15(19)18(11-6-7-11)9-10-4-2-1-3-5-10/h8,10-11H,1-7,9H2.
What are the key properties of 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide?
4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 421.20 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 80536544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).