N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C23H26N4O3S — CID 118293605

IUPACN-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(C(C)(C)C)c3)c2)ccn1
InChIInChI=1S/C23H26N4O3S/c1-15-21(27-31(29,30)20-8-6-7-19(13-20)23(3,4)5)11-18(14-25-15)17-9-10-24-22(12-17)26-16(2)28/h6-14,27H,1-5H3,(H,24,26,28)
InChIKeyGUVLZGXFXABMMR-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.51
Rot. Bonds5

About N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293605) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293605
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(C(C)(C)C)c3)c2)ccn1
InChIInChI=1S/C23H26N4O3S/c1-15-21(27-31(29,30)20-8-6-7-19(13-20)23(3,4)5)11-18(14-25-15)17-9-10-24-22(12-17)26-16(2)28/h6-14,27H,1-5H3,(H,24,26,28)
InChIKeyGUVLZGXFXABMMR-UHFFFAOYSA-N
XLogP4.51
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249429
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785688
N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293464
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 123524378
N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 152861408

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293605) is N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(C(C)(C)C)c3)c2)ccn1.
What is the InChIKey of N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is GUVLZGXFXABMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-21(27-31(29,30)20-8-6-7-19(13-20)23(3,4)5)11-18(14-25-15)17-9-10-24-22(12-17)26-16(2)28/h6-14,27H,1-5H3,(H,24,26,28).
What are the key properties of N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).