N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide

C18H19BrClNOS — CID 167757299

IUPACN-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2csc(C3CCCCC3)c2)c(Br)c1
InChIInChI=1S/C18H19BrClNOS/c1-11-7-14(19)17(15(20)8-11)21-18(22)13-9-16(23-10-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,22)
InChIKeyKBIORHCPSWRLBV-UHFFFAOYSA-N
MW412.78 g/mol
LogP6.77
Rot. Bonds3

About N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide

N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide (PubChem CID 167757299) has the molecular formula C18H19BrClNOS and a molecular weight of 412.78 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
PubChem CID167757299
Molecular FormulaC18H19BrClNOS
Molecular Weight412.78 g/mol
Exact Mass411.01
IUPAC NameN-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2csc(C3CCCCC3)c2)c(Br)c1
InChIInChI=1S/C18H19BrClNOS/c1-11-7-14(19)17(15(20)8-11)21-18(22)13-9-16(23-10-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,22)
InChIKeyKBIORHCPSWRLBV-UHFFFAOYSA-N
XLogP6.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
CID 166349538
5-cyclohexyl-N-(5-methyl-2-oxo-1H-pyridin-3-yl)thiophene-3-carboxamide
CID 166349578
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
CID 166195214
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide (CID 167757299) is N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide is Cc1cc(Cl)c(NC(=O)c2csc(C3CCCCC3)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
The InChIKey is KBIORHCPSWRLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNOS/c1-11-7-14(19)17(15(20)8-11)21-18(22)13-9-16(23-10-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,22).
What are the key properties of N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide has a molecular weight of 412.78 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide is sourced from PubChem (CID 167757299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).