3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide

C16H19NOS — CID 110292483

IUPAC3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H19NOS/c1-12(2)10-16(18)17-11-14-8-9-15(19-14)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,18)
InChIKeyJRJLCCIBNQITFR-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.08
Rot. Bonds5

About 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide

3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide (PubChem CID 110292483) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
PubChem CID110292483
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H19NOS/c1-12(2)10-16(18)17-11-14-8-9-15(19-14)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,18)
InChIKeyJRJLCCIBNQITFR-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-Phenylethyl)-2-thiophenecarboxamide
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4-methyl-N-[2-(2-thienyl)ethyl]benzamide
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N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
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N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
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CID 2545956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide (CID 110292483) is 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide is CC(C)CC(=O)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide?
The InChIKey is JRJLCCIBNQITFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12(2)10-16(18)17-11-14-8-9-15(19-14)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide?
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide has a molecular weight of 273.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 110292483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).