N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide

C18H21N3O3S — CID 154704132

IUPACN-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide
SMILESCc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C18H21N3O3S/c1-13-6-9-20-12-16(13)21-17(22)11-18(7-3-8-18)14-4-2-5-15(10-14)25(19,23)24/h2,4-6,9-10,12H,3,7-8,11H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyWGAVXEPEKLXJNZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.49
Rot. Bonds5

About N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide

N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide (PubChem CID 154704132) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide
PubChem CID154704132
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide
SMILESCc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C18H21N3O3S/c1-13-6-9-20-12-16(13)21-17(22)11-18(7-3-8-18)14-4-2-5-15(10-14)25(19,23)24/h2,4-6,9-10,12H,3,7-8,11H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyWGAVXEPEKLXJNZ-UHFFFAOYSA-N
XLogP2.49
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide (CID 154704132) is N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide is Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCC1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide?
The InChIKey is WGAVXEPEKLXJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-6-9-20-12-16(13)21-17(22)11-18(7-3-8-18)14-4-2-5-15(10-14)25(19,23)24/h2,4-6,9-10,12H,3,7-8,11H2,1H3,(H,21,22)(H2,19,23,24).
What are the key properties of N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide?
N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide is sourced from PubChem (CID 154704132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).