2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide

C22H30N2O3S — CID 132661818

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
SMILESCCc1ccc(N(C(C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O3S/c1-5-19-12-14-21(15-13-19)24(28(4,26)27)18(3)22(25)23-16-6-7-20-10-8-17(2)9-11-20/h8-15,18H,5-7,16H2,1-4H3,(H,23,25)
InChIKeyYPWIEWGAKZQHKH-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.46
Rot. Bonds9

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide (PubChem CID 132661818) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
PubChem CID132661818
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
SMILESCCc1ccc(N(C(C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O3S/c1-5-19-12-14-21(15-13-19)24(28(4,26)27)18(3)22(25)23-16-6-7-20-10-8-17(2)9-11-20/h8-15,18H,5-7,16H2,1-4H3,(H,23,25)
InChIKeyYPWIEWGAKZQHKH-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132672824
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
N-[3-(4-methylphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666092
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2217803
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 126413449
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2233240
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 125042380
(2R)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 7297206
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 132665744
N-(2-cyclopentylsulfanylethyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 133160933

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide (CID 132661818) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide is CCc1ccc(N(C(C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
The InChIKey is YPWIEWGAKZQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-5-19-12-14-21(15-13-19)24(28(4,26)27)18(3)22(25)23-16-6-7-20-10-8-17(2)9-11-20/h8-15,18H,5-7,16H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide has a molecular weight of 402.56 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 132661818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).