3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C20H25NO2S — CID 30380045

IUPAC3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccc(SCCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)23-18-8-6-17(7-9-18)14-21-20(22)12-13-24-19-10-4-16(3)5-11-19/h4-11,15H,12-14H2,1-3H3,(H,21,22)
InChIKeyWEKWCUDWRBSVOE-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.58
Rot. Bonds8

About 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 30380045) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID30380045
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccc(SCCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)23-18-8-6-17(7-9-18)14-21-20(22)12-13-24-19-10-4-16(3)5-11-19/h4-11,15H,12-14H2,1-3H3,(H,21,22)
InChIKeyWEKWCUDWRBSVOE-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129839
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 30380045) is 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is Cc1ccc(SCCC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is WEKWCUDWRBSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(2)23-18-8-6-17(7-9-18)14-21-20(22)12-13-24-19-10-4-16(3)5-11-19/h4-11,15H,12-14H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 343.49 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 30380045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).