4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide

C23H39N3O3S — CID 100710774

IUPAC4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C23H39N3O3S/c1-5-21-12-6-7-16-25(21)17-10-15-24-23(27)14-9-18-26(30(4,28)29)22-13-8-11-19(2)20(22)3/h8,11,13,21H,5-7,9-10,12,14-18H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeySQOPHEXCVUDCCK-OAQYLSRUSA-N
MW437.65 g/mol
LogP3.62
Rot. Bonds11

About 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide (PubChem CID 100710774) has the molecular formula C23H39N3O3S and a molecular weight of 437.65 g/mol. Its IUPAC name is 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
PubChem CID100710774
Molecular FormulaC23H39N3O3S
Molecular Weight437.65 g/mol
Exact Mass437.27
IUPAC Name4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C23H39N3O3S/c1-5-21-12-6-7-16-25(21)17-10-15-24-23(27)14-9-18-26(30(4,28)29)22-13-8-11-19(2)20(22)3/h8,11,13,21H,5-7,9-10,12,14-18H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeySQOPHEXCVUDCCK-OAQYLSRUSA-N
XLogP3.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.65
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100511214
N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100710859
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
CID 133162413
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43898491
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide?
The IUPAC name of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide (CID 100710774) is 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide.
What is the SMILES notation for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide?
The canonical SMILES for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide is CC[C@@H]1CCCCN1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O.
What is the InChIKey of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide?
The InChIKey is SQOPHEXCVUDCCK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H39N3O3S/c1-5-21-12-6-7-16-25(21)17-10-15-24-23(27)14-9-18-26(30(4,28)29)22-13-8-11-19(2)20(22)3/h8,11,13,21H,5-7,9-10,12,14-18H2,1-4H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide?
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide has a molecular weight of 437.65 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide is sourced from PubChem (CID 100710774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).