N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide

C18H29N3O3S — CID 113156320

IUPACN,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-19(5-2)18(22)15-21(25(3,23)24)17-11-9-16(10-12-17)20-13-7-6-8-14-20/h9-12H,4-8,13-15H2,1-3H3
InChIKeyZUTIZGPROOCVML-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.31
Rot. Bonds7

About N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide

N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide (PubChem CID 113156320) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
PubChem CID113156320
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-19(5-2)18(22)15-21(25(3,23)24)17-11-9-16(10-12-17)20-13-7-6-8-14-20/h9-12H,4-8,13-15H2,1-3H3
InChIKeyZUTIZGPROOCVML-UHFFFAOYSA-N
XLogP2.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791
N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154163
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
CID 113156254
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
CID 113145813

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide (CID 113156320) is N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide is CCN(CC)C(=O)CN(c1ccc(N2CCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide?
The InChIKey is ZUTIZGPROOCVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-19(5-2)18(22)15-21(25(3,23)24)17-11-9-16(10-12-17)20-13-7-6-8-14-20/h9-12H,4-8,13-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide?
N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide has a molecular weight of 367.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 113156320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).