N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide

C18H22N4O4S — CID 129252573

IUPACN-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(=O)N(C(=O)NC(C)C)S(=O)(=O)c1cnccc1Nc1cccc(C)c1
InChIInChI=1S/C18H22N4O4S/c1-12(2)20-18(24)22(14(4)23)27(25,26)17-11-19-9-8-16(17)21-15-7-5-6-13(3)10-15/h5-12H,1-4H3,(H,19,21)(H,20,24)
InChIKeyXONVRGQEPVYEHR-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.79
Rot. Bonds5

About N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide

N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 129252573) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID129252573
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(=O)N(C(=O)NC(C)C)S(=O)(=O)c1cnccc1Nc1cccc(C)c1
InChIInChI=1S/C18H22N4O4S/c1-12(2)20-18(24)22(14(4)23)27(25,26)17-11-19-9-8-16(17)21-15-7-5-6-13(3)10-15/h5-12H,1-4H3,(H,19,21)(H,20,24)
InChIKeyXONVRGQEPVYEHR-UHFFFAOYSA-N
XLogP2.79
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[[4-(3-methylanilino)-3-pyridinyl]-oxo-(propan-2-ylcarbamoylamino)-λ6-sulfanylidene]oxidanium
CID 163731126
lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221
calcium [4-(3-methylanilino)-3-pyridinyl]sulfonyl-propan-2-ylazanidylcarbonylazanide
CID 74821404
tripotassium;trisodium;N,N-diethylethanamine;methane;tris([[4-(3-methylanilino)-3-pyridinyl]sulfonyl-(propan-2-ylcarbamoyl)amino]methyl dihydrogen phosphate);bis([[4-(3-methylanilino)-3-pyridinyl]sulfonyl-(propan-2-ylcarbamoyl)amino]methyl phosphate);dihydroxide;trihydroiodide
CID 163861689
1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
CID 12655483
[4-methoxyheptan-2-ylcarbamoyl-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]amino]methyl dihydrogen phosphate
CID 166935680
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
1-[[1-methyl-4-(3-methylanilino)pyridin-1-ium-3-yl]sulfonylmethyl]-3-propan-2-ylurea
CID 91110800
1-[1-(methoxymethyl)-4-(3-methylanilino)pyridin-1-ium-3-yl]sulfonyl-3-propan-2-ylurea chloride
CID 172970621
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 129252573) is N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide is CC(=O)N(C(=O)NC(C)C)S(=O)(=O)c1cnccc1Nc1cccc(C)c1.
What is the InChIKey of N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is XONVRGQEPVYEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12(2)20-18(24)22(14(4)23)27(25,26)17-11-19-9-8-16(17)21-15-7-5-6-13(3)10-15/h5-12H,1-4H3,(H,19,21)(H,20,24).
What are the key properties of N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide?
N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 129252573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).