3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide

C17H25NO5S — CID 110425232

IUPAC3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCS(C)(=O)=O)C2CC2)cc1OC
InChIInChI=1S/C17H25NO5S/c1-22-15-7-6-13(10-16(15)23-2)14(12-4-5-12)11-17(19)18-8-9-24(3,20)21/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChIKeyQKZOYQKTDHNEED-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.75
Rot. Bonds9

About 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide (PubChem CID 110425232) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
PubChem CID110425232
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCS(C)(=O)=O)C2CC2)cc1OC
InChIInChI=1S/C17H25NO5S/c1-22-15-7-6-13(10-16(15)23-2)14(12-4-5-12)11-17(19)18-8-9-24(3,20)21/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChIKeyQKZOYQKTDHNEED-UHFFFAOYSA-N
XLogP1.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 110408995
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 110301496
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
3-cyclopropyl-N-[3-(dimethylamino)propyl]-3-(3,4-dimethylphenyl)propanamide
CID 110408201

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide (CID 110425232) is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide is COc1ccc(C(CC(=O)NCCS(C)(=O)=O)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is QKZOYQKTDHNEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-22-15-7-6-13(10-16(15)23-2)14(12-4-5-12)11-17(19)18-8-9-24(3,20)21/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide?
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 110425232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).