N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide

C14H20BrNOS — CID 102638346

IUPACN-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C2CCCCC2Br)s1
InChIInChI=1S/C14H20BrNOS/c1-3-10-8-9-13(18-10)14(17)16(2)12-7-5-4-6-11(12)15/h8-9,11-12H,3-7H2,1-2H3
InChIKeyDJDBTWZPCKRDNB-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.09
Rot. Bonds3

About N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide

N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 102638346) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
PubChem CID102638346
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C2CCCCC2Br)s1
InChIInChI=1S/C14H20BrNOS/c1-3-10-8-9-13(18-10)14(17)16(2)12-7-5-4-6-11(12)15/h8-9,11-12H,3-7H2,1-2H3
InChIKeyDJDBTWZPCKRDNB-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
CID 102634720
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CID 102638491
N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
CID 114103998
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N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
CID 63394341
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
CID 102634684
N-(2-bromocyclohexyl)-N-methylbutanamide
CID 102638315
(5-ethylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62213511
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
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N-(2-bromocyclohexyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 102638539

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide (CID 102638346) is N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide is CCc1ccc(C(=O)N(C)C2CCCCC2Br)s1.
What is the InChIKey of N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is DJDBTWZPCKRDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-3-10-8-9-13(18-10)14(17)16(2)12-7-5-4-6-11(12)15/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide?
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 102638346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).