4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C21H27NO2S — CID 55773459

IUPAC4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCc1ccc(CCCC(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C21H27NO2S/c1-17-9-11-18(12-10-17)5-2-8-21(23)22(15-19-6-3-13-24-19)16-20-7-4-14-25-20/h4,7,9-12,14,19H,2-3,5-6,8,13,15-16H2,1H3
InChIKeyOCLJWXZNSFJPHY-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.59
Rot. Bonds8

About 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 55773459) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID55773459
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCc1ccc(CCCC(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C21H27NO2S/c1-17-9-11-18(12-10-17)5-2-8-21(23)22(15-19-6-3-13-24-19)16-20-7-4-14-25-20/h4,7,9-12,14,19H,2-3,5-6,8,13,15-16H2,1H3
InChIKeyOCLJWXZNSFJPHY-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55595482
N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 112823627
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 55773459) is 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is Cc1ccc(CCCC(=O)N(Cc2cccs2)CC2CCCO2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is OCLJWXZNSFJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-17-9-11-18(12-10-17)5-2-8-21(23)22(15-19-6-3-13-24-19)16-20-7-4-14-25-20/h4,7,9-12,14,19H,2-3,5-6,8,13,15-16H2,1H3.
What are the key properties of 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 357.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 55773459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).