3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide

C19H25N3O4S — CID 113145026

IUPAC3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)Oc1ccccc1N(CCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O4S/c1-15(2)26-18-7-5-4-6-17(18)22(27(3,24)25)13-10-19(23)21-14-16-8-11-20-12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,21,23)
InChIKeyACFPJCQVPYIAKX-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.34
Rot. Bonds9

About 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113145026) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113145026
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)Oc1ccccc1N(CCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O4S/c1-15(2)26-18-7-5-4-6-17(18)22(27(3,24)25)13-10-19(23)21-14-16-8-11-20-12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,21,23)
InChIKeyACFPJCQVPYIAKX-UHFFFAOYSA-N
XLogP2.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53286560
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113145026) is 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide is CC(C)Oc1ccccc1N(CCC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ACFPJCQVPYIAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-15(2)26-18-7-5-4-6-17(18)22(27(3,24)25)13-10-19(23)21-14-16-8-11-20-12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,21,23).
What are the key properties of 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113145026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).