4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide

C19H25N3O4S — CID 53286560

IUPAC4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
SMILESCCOc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O4S/c1-3-26-18-8-5-4-7-17(18)22(27(2,24)25)14-6-9-19(23)21-15-16-10-12-20-13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,21,23)
InChIKeyZOLZZXDQZXDLLH-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.34
Rot. Bonds10

About 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide

4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 53286560) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
PubChem CID53286560
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
SMILESCCOc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O4S/c1-3-26-18-8-5-4-7-17(18)22(27(2,24)25)14-6-9-19(23)21-15-16-10-12-20-13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,21,23)
InChIKeyZOLZZXDQZXDLLH-UHFFFAOYSA-N
XLogP2.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53288641
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 46773025
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2969185

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide (CID 53286560) is 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide is CCOc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is ZOLZZXDQZXDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-26-18-8-5-4-7-17(18)22(27(2,24)25)14-6-9-19(23)21-15-16-10-12-20-13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 391.49 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 53286560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).