2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide

C20H33N3O4S — CID 132663988

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESCCOc1ccc(N(C(C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H33N3O4S/c1-5-27-19-8-6-18(7-9-19)23(28(4,25)26)16(2)20(24)21-13-10-17-11-14-22(3)15-12-17/h6-9,16-17H,5,10-15H2,1-4H3,(H,21,24)
InChIKeyXJSSKIJNTWFZBC-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.09
Rot. Bonds9

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide (PubChem CID 132663988) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
PubChem CID132663988
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESCCOc1ccc(N(C(C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H33N3O4S/c1-5-27-19-8-6-18(7-9-19)23(28(4,25)26)16(2)20(24)21-13-10-17-11-14-22(3)15-12-17/h6-9,16-17H,5,10-15H2,1-4H3,(H,21,24)
InChIKeyXJSSKIJNTWFZBC-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764926
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99971461
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 125072329
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2914975
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94014290
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133185289
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 125070834
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 132663526
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125075203
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125075204

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide (CID 132663988) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide is CCOc1ccc(N(C(C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is XJSSKIJNTWFZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-5-27-19-8-6-18(7-9-19)23(28(4,25)26)16(2)20(24)21-13-10-17-11-14-22(3)15-12-17/h6-9,16-17H,5,10-15H2,1-4H3,(H,21,24).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 411.57 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 132663988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).