2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

C24H33N3O4S — CID 30272473

IUPAC2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H33N3O4S/c1-19(2)31-23-13-11-22(12-14-23)27(32(3,29)30)18-24(28)25-17-20-7-9-21(10-8-20)26-15-5-4-6-16-26/h7-14,19H,4-6,15-18H2,1-3H3,(H,25,28)
InChIKeyOKPKKSKEZZNZLB-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.55
Rot. Bonds9

About 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 30272473) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID30272473
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H33N3O4S/c1-19(2)31-23-13-11-22(12-14-23)27(32(3,29)30)18-24(28)25-17-20-7-9-21(10-8-20)26-15-5-4-6-16-26/h7-14,19H,4-6,15-18H2,1-3H3,(H,25,28)
InChIKeyOKPKKSKEZZNZLB-UHFFFAOYSA-N
XLogP3.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767593
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767610
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767085
2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
CID 113156254
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
2-(4-iodo-N-methylsulfonylanilino)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43897366
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30219413
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (CID 30272473) is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is CC(C)Oc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is OKPKKSKEZZNZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-19(2)31-23-13-11-22(12-14-23)27(32(3,29)30)18-24(28)25-17-20-7-9-21(10-8-20)26-15-5-4-6-16-26/h7-14,19H,4-6,15-18H2,1-3H3,(H,25,28).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 459.61 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 30272473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).