N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

C23H26N4O4S — CID 71624633

IUPACN-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCN(Cc1cccnc1)C(=O)CN(c1ccc(O[11CH3])nc1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3/i3-1
InChIKeyKJPHTXTWFHVJIG-KTXUZGJCSA-N
MW453.55 g/mol
LogP3.04
Rot. Bonds9

About N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 71624633) has the molecular formula C23H26N4O4S and a molecular weight of 453.55 g/mol. Its IUPAC name is N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID71624633
Molecular FormulaC23H26N4O4S
Molecular Weight453.55 g/mol
Exact Mass453.18
IUPAC NameN-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCN(Cc1cccnc1)C(=O)CN(c1ccc(O[11CH3])nc1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3/i3-1
InChIKeyKJPHTXTWFHVJIG-KTXUZGJCSA-N
XLogP3.04
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 58978410
N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide
CID 57455769
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 66886042
3-(diethylsulfamoyl)-4-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983352
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]-N-ethylacetamide
CID 58591194
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 71624633) is N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is CCN(Cc1cccnc1)C(=O)CN(c1ccc(O[11CH3])nc1)S(=O)(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KJPHTXTWFHVJIG-KTXUZGJCSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3/i3-1.
What are the key properties of N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 453.55 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 71624633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).