3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

C16H24N2O5S — CID 113144466

IUPAC3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)NCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O5S/c1-22-15-8-4-3-7-14(15)18(24(2,20)21)10-9-16(19)17-12-13-6-5-11-23-13/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)
InChIKeyQIINCOMEVCWBNL-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.15
Rot. Bonds8

About 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113144466) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113144466
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)NCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O5S/c1-22-15-8-4-3-7-14(15)18(24(2,20)21)10-9-16(19)17-12-13-6-5-11-23-13/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)
InChIKeyQIINCOMEVCWBNL-UHFFFAOYSA-N
XLogP1.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
CID 113147062
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2968893
3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113146467
3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113147211
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40742865
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1143002

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 113144466) is 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is COc1ccccc1N(CCC(=O)NCC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is QIINCOMEVCWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-15-8-4-3-7-14(15)18(24(2,20)21)10-9-16(19)17-12-13-6-5-11-23-13/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 356.44 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113144466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).