5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

C18H20N2O3S — CID 17467730

IUPAC5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)s1
InChIInChI=1S/C18H20N2O3S/c1-12-8-9-16(24-12)18(22)20-15-7-3-2-6-14(15)17(21)19-11-13-5-4-10-23-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWUGLKMOKABGPHP-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.22
Rot. Bonds5

About 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 17467730) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID17467730
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)s1
InChIInChI=1S/C18H20N2O3S/c1-12-8-9-16(24-12)18(22)20-15-7-3-2-6-14(15)17(21)19-11-13-5-4-10-23-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWUGLKMOKABGPHP-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 17467730) is 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)s1.
What is the InChIKey of 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is WUGLKMOKABGPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-8-9-16(24-12)18(22)20-15-7-3-2-6-14(15)17(21)19-11-13-5-4-10-23-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17467730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).