N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

C19H18N4O4S — CID 118293464

IUPACN-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H18N4O4S/c1-13(24)22-18-11-14(8-9-20-18)15-10-17(19(27-2)21-12-15)28(25,26)23-16-6-4-3-5-7-16/h3-12,23H,1-2H3,(H,20,22,24)
InChIKeyZZBVDJUUKAGPTA-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.91
Rot. Bonds6

About N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293464) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293464
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H18N4O4S/c1-13(24)22-18-11-14(8-9-20-18)15-10-17(19(27-2)21-12-15)28(25,26)23-16-6-4-3-5-7-16/h3-12,23H,1-2H3,(H,20,22,24)
InChIKeyZZBVDJUUKAGPTA-UHFFFAOYSA-N
XLogP2.91
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249429
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
CID 71116598
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785688
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
4-acetamido-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-methylbenzamide
CID 166752447
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 67062321

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293464) is N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is COc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is ZZBVDJUUKAGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13(24)22-18-11-14(8-9-20-18)15-10-17(19(27-2)21-12-15)28(25,26)23-16-6-4-3-5-7-16/h3-12,23H,1-2H3,(H,20,22,24).
What are the key properties of N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).