N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide

C19H19N3OS — CID 143087971

IUPACN-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)s1)NCCC1=NC=CC=CC1
InChIInChI=1S/C19H19N3OS/c23-19(22-13-9-16-4-2-1-3-10-21-16)14-17-5-6-18(24-17)15-7-11-20-12-8-15/h1-3,5-8,10-12H,4,9,13-14H2,(H,22,23)
InChIKeyMFENKGBKLZOQHE-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide

N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide (PubChem CID 143087971) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide
PubChem CID143087971
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)s1)NCCC1=NC=CC=CC1
InChIInChI=1S/C19H19N3OS/c23-19(22-13-9-16-4-2-1-3-10-21-16)14-17-5-6-18(24-17)15-7-11-20-12-8-15/h1-3,5-8,10-12H,4,9,13-14H2,(H,22,23)
InChIKeyMFENKGBKLZOQHE-UHFFFAOYSA-N
XLogP3.77
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110395334
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol
CID 174475754
2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde
CID 88920036
2-(4-fluorophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155801397
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-thiophen-3-ylacetamide
CID 119102189
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
CID 155981904

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide (CID 143087971) is N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide is O=C(Cc1ccc(-c2ccncc2)s1)NCCC1=NC=CC=CC1.
What is the InChIKey of N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide?
The InChIKey is MFENKGBKLZOQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(22-13-9-16-4-2-1-3-10-21-16)14-17-5-6-18(24-17)15-7-11-20-12-8-15/h1-3,5-8,10-12H,4,9,13-14H2,(H,22,23).
What are the key properties of N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide?
N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-azepin-2-yl)ethyl]-2-(5-pyridin-4-ylthiophen-2-yl)acetamide is sourced from PubChem (CID 143087971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).