N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide

C19H25N3O4S — CID 113055521

IUPACN-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(OC(C)C)cc1)Cc1ccncc1
InChIInChI=1S/C19H25N3O4S/c1-15(2)26-18-4-6-19(7-5-18)27(24,25)21-12-13-22(16(3)23)14-17-8-10-20-11-9-17/h4-11,15,21H,12-14H2,1-3H3
InChIKeyFTTNQCSLODQZNB-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide

N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113055521) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113055521
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(OC(C)C)cc1)Cc1ccncc1
InChIInChI=1S/C19H25N3O4S/c1-15(2)26-18-4-6-19(7-5-18)27(24,25)21-12-13-22(16(3)23)14-17-8-10-20-11-9-17/h4-11,15,21H,12-14H2,1-3H3
InChIKeyFTTNQCSLODQZNB-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055517
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113055244
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055375
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-[(4-methylphenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054409

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide (CID 113055521) is N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(OC(C)C)cc1)Cc1ccncc1.
What is the InChIKey of N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is FTTNQCSLODQZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-15(2)26-18-4-6-19(7-5-18)27(24,25)21-12-13-22(16(3)23)14-17-8-10-20-11-9-17/h4-11,15,21H,12-14H2,1-3H3.
What are the key properties of N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113055521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).