2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide

C18H29N3O3S — CID 113156330

IUPAC2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-11-19-18(22)14-21(25(3,23)24)17-7-5-16(6-8-17)20-12-9-15(2)10-13-20/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyRXLWJZVJNZWXIU-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.22
Rot. Bonds7

About 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide

2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide (PubChem CID 113156330) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide
PubChem CID113156330
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-11-19-18(22)14-21(25(3,23)24)17-7-5-16(6-8-17)20-12-9-15(2)10-13-20/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyRXLWJZVJNZWXIU-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
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

3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
CID 113145831
N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
CID 113145839
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217444
2-(4-ethoxy-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43895634
2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
CID 113156254
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273526
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
2-(4-iodo-N-methylsulfonylanilino)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43897366
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43897921
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43898524
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide (CID 113156330) is 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide is CCCNC(=O)CN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide?
The InChIKey is RXLWJZVJNZWXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-11-19-18(22)14-21(25(3,23)24)17-7-5-16(6-8-17)20-12-9-15(2)10-13-20/h5-8,15H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide?
2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide has a molecular weight of 367.52 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide is sourced from PubChem (CID 113156330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).