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

C20H20N4O4S — CID 118248990

IUPACN-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1
InChIInChI=1S/C20H20N4O4S/c1-13-19(24-29(26,27)18-6-4-17(28-3)5-7-18)10-16(12-22-13)15-8-9-21-20(11-15)23-14(2)25/h4-12,24H,1-3H3,(H,21,23,25)
InChIKeyLZWGARNALFEHHZ-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.22
Rot. Bonds6

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

N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118248990) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118248990
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1
InChIInChI=1S/C20H20N4O4S/c1-13-19(24-29(26,27)18-6-4-17(28-3)5-7-18)10-16(12-22-13)15-8-9-21-20(11-15)23-14(2)25/h4-12,24H,1-3H3,(H,21,23,25)
InChIKeyLZWGARNALFEHHZ-UHFFFAOYSA-N
XLogP3.22
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10052336
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
2-{4-[(4'-Methoxybiphenyl-3-Yl)sulfonyl]piperazin-1-Yl}-3-(4-Methoxyphenyl)pyrazine
CID 56955953
3-amino-N-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10006844
3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10459291
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940069
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 118321322
4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616331
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzenesulfonamide
CID 53311066

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118248990) is N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1.
What is the InChIKey of N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is LZWGARNALFEHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13-19(24-29(26,27)18-6-4-17(28-3)5-7-18)10-16(12-22-13)15-8-9-21-20(11-15)23-14(2)25/h4-12,24H,1-3H3,(H,21,23,25).
What are the key properties of N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118248990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).