2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide

C19H19NOS — CID 71423955

IUPAC2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1sc2ccccc2c1C
InChIInChI=1S/C19H19NOS/c1-13-7-3-4-8-15(13)19(21)20-12-11-17-14(2)16-9-5-6-10-18(16)22-17/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyOHFVHKUPAYBVQZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.49
Rot. Bonds4

About 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide

2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide (PubChem CID 71423955) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide
PubChem CID71423955
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1sc2ccccc2c1C
InChIInChI=1S/C19H19NOS/c1-13-7-3-4-8-15(13)19(21)20-12-11-17-14(2)16-9-5-6-10-18(16)22-17/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyOHFVHKUPAYBVQZ-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide
CID 134965544
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
methyl 2-(3-methyl-1-benzothiophen-2-yl)acetate
CID 70535480
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-hexyl-2-methylbenzamide
CID 3017102
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 31115481
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide (CID 71423955) is 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide is Cc1ccccc1C(=O)NCCc1sc2ccccc2c1C.
What is the InChIKey of 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide?
The InChIKey is OHFVHKUPAYBVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-13-7-3-4-8-15(13)19(21)20-12-11-17-14(2)16-9-5-6-10-18(16)22-17/h3-10H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide?
2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide has a molecular weight of 309.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 71423955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).