N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide

C21H19NO3S — CID 9489216

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
SMILESCc1cccc(OCCNC(=O)c2ccccc2C(=O)c2cccs2)c1
InChIInChI=1S/C21H19NO3S/c1-15-6-4-7-16(14-15)25-12-11-22-21(24)18-9-3-2-8-17(18)20(23)19-10-5-13-26-19/h2-10,13-14H,11-12H2,1H3,(H,22,24)
InChIKeyLRRCAXWXUXNWCE-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.10
Rot. Bonds7

About N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide

N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 9489216) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID9489216
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
SMILESCc1cccc(OCCNC(=O)c2ccccc2C(=O)c2cccs2)c1
InChIInChI=1S/C21H19NO3S/c1-15-6-4-7-16(14-15)25-12-11-22-21(24)18-9-3-2-8-17(18)20(23)19-10-5-13-26-19/h2-10,13-14H,11-12H2,1H3,(H,22,24)
InChIKeyLRRCAXWXUXNWCE-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18093718
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119508490
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62235691
N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975675
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide (CID 9489216) is N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide is Cc1cccc(OCCNC(=O)c2ccccc2C(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is LRRCAXWXUXNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-15-6-4-7-16(14-15)25-12-11-22-21(24)18-9-3-2-8-17(18)20(23)19-10-5-13-26-19/h2-10,13-14H,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide?
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 365.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 9489216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).