3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

C18H28N2O5S — CID 113140433

IUPAC3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(CCN(CCC(=O)NCC2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O5S/c1-24-16-6-3-5-15(13-16)8-10-20(26(2,22)23)11-9-18(21)19-14-17-7-4-12-25-17/h3,5-6,13,17H,4,7-12,14H2,1-2H3,(H,19,21)
InChIKeyCFVPUVHIMPPDHG-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.18
Rot. Bonds10

About 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113140433) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113140433
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(CCN(CCC(=O)NCC2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O5S/c1-24-16-6-3-5-15(13-16)8-10-20(26(2,22)23)11-9-18(21)19-14-17-7-4-12-25-17/h3,5-6,13,17H,4,7-12,14H2,1-2H3,(H,19,21)
InChIKeyCFVPUVHIMPPDHG-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113144466
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
1-[[2-(3-methoxyphenyl)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637215
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[2-[(2S)-oxan-2-yl]ethyl]propanamide
CID 42392793

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 113140433) is 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is COc1cccc(CCN(CCC(=O)NCC2CCCO2)S(C)(=O)=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is CFVPUVHIMPPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-24-16-6-3-5-15(13-16)8-10-20(26(2,22)23)11-9-18(21)19-14-17-7-4-12-25-17/h3,5-6,13,17H,4,7-12,14H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113140433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).