3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide

C14H20ClNO3S — CID 71973836

IUPAC3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C14H20ClNO3S/c1-14(2,10-11-5-4-6-12(15)9-11)13(17)16-7-8-20(3,18)19/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
InChIKeySHPJXQZRBBPECB-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.07
Rot. Bonds6

About 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide

3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 71973836) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID71973836
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C14H20ClNO3S/c1-14(2,10-11-5-4-6-12(15)9-11)13(17)16-7-8-20(3,18)19/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
InChIKeySHPJXQZRBBPECB-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide (CID 71973836) is 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide is CC(C)(Cc1cccc(Cl)c1)C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is SHPJXQZRBBPECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-14(2,10-11-5-4-6-12(15)9-11)13(17)16-7-8-20(3,18)19/h4-6,9H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 317.84 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 71973836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).