3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide

C15H24N2O3S — CID 47056215

IUPAC3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide
SMILESCc1ccc(C(C)N(C)CCS(=O)(=O)CCC(N)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-4-6-14(7-5-12)13(2)17(3)9-11-21(19,20)10-8-15(16)18/h4-7,13H,8-11H2,1-3H3,(H2,16,18)
InChIKeyVLOBXOHCUSNUOA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.28
Rot. Bonds8

About 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide

3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide (PubChem CID 47056215) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide
PubChem CID47056215
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide
SMILESCc1ccc(C(C)N(C)CCS(=O)(=O)CCC(N)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-4-6-14(7-5-12)13(2)17(3)9-11-21(19,20)10-8-15(16)18/h4-7,13H,8-11H2,1-3H3,(H2,16,18)
InChIKeyVLOBXOHCUSNUOA-UHFFFAOYSA-N
XLogP1.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 3476149
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952
N-{2-[Benzyl(methyl)amino]ethyl}-3-[(4-methylphenyl)methanesulfonyl]propanamide
CID 4173905
N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 3644529
3-[(4-methylbenzyl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 5068932
3-[(4-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 3240303
N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 3659357
N-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 4524235
3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 3659358
N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 5167231
3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
CID 5177076
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 17519750

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide (CID 47056215) is 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide is Cc1ccc(C(C)N(C)CCS(=O)(=O)CCC(N)=O)cc1.
What is the InChIKey of 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide?
The InChIKey is VLOBXOHCUSNUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-6-14(7-5-12)13(2)17(3)9-11-21(19,20)10-8-15(16)18/h4-7,13H,8-11H2,1-3H3,(H2,16,18).
What are the key properties of 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide?
3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[1-(4-methylphenyl)ethyl]amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 47056215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).