N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide

C23H26N4O3S — CID 58978410

IUPACN-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCN(Cc1cccnc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cn1
InChIInChI=1S/C23H26N4O3S/c1-4-26(16-20-6-5-13-24-15-20)23(28)17-27(21-10-7-18(2)8-11-21)31(29,30)22-12-9-19(3)14-25-22/h5-15H,4,16-17H2,1-3H3
InChIKeyGTDHHMBNBMMWKX-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.34
Rot. Bonds8

About N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide

N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 58978410) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID58978410
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCN(Cc1cccnc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cn1
InChIInChI=1S/C23H26N4O3S/c1-4-26(16-20-6-5-13-24-15-20)23(28)17-27(21-10-7-18(2)8-11-21)31(29,30)22-12-9-19(3)14-25-22/h5-15H,4,16-17H2,1-3H3
InChIKeyGTDHHMBNBMMWKX-UHFFFAOYSA-N
XLogP3.34
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 71624633
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide (CID 58978410) is N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide is CCN(Cc1cccnc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cn1.
What is the InChIKey of N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GTDHHMBNBMMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-4-26(16-20-6-5-13-24-15-20)23(28)17-27(21-10-7-18(2)8-11-21)31(29,30)22-12-9-19(3)14-25-22/h5-15H,4,16-17H2,1-3H3.
What are the key properties of N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide?
N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 58978410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).