N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide

C14H22N2OS — CID 104974562

IUPACN-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C2CCCNCC2)s1
InChIInChI=1S/C14H22N2OS/c1-3-12-6-7-13(18-12)14(17)16(2)11-5-4-9-15-10-8-11/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyTUQXWVIWEKXIBP-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.52
Rot. Bonds3

About N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide

N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 104974562) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
PubChem CID104974562
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C2CCCNCC2)s1
InChIInChI=1S/C14H22N2OS/c1-3-12-6-7-13(18-12)14(17)16(2)11-5-4-9-15-10-8-11/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyTUQXWVIWEKXIBP-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
CID 102634720
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
N-(azepan-4-yl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 104974496
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
N-(azepan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104974435
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
CID 63394341
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide (CID 104974562) is N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide is CCc1ccc(C(=O)N(C)C2CCCNCC2)s1.
What is the InChIKey of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is TUQXWVIWEKXIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-12-6-7-13(18-12)14(17)16(2)11-5-4-9-15-10-8-11/h6-7,11,15H,3-5,8-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 104974562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).