2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide

C14H22N2O3S — CID 2222479

IUPAC2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-3-10-15-14(17)12-16(20(2,18)19)11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,15,17)
InChIKeyXYULKYRCXJWLIS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds8

About 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide

2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide (PubChem CID 2222479) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide
PubChem CID2222479
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-3-10-15-14(17)12-16(20(2,18)19)11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,15,17)
InChIKeyXYULKYRCXJWLIS-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide?
The IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide (CID 2222479) is 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide is CCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide?
The InChIKey is XYULKYRCXJWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-10-15-14(17)12-16(20(2,18)19)11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,15,17).
What are the key properties of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide?
2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(2-phenylethyl)amino]-N-propylacetamide is sourced from PubChem (CID 2222479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).