N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C16H18N4O3S — CID 126825101

IUPACN-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1
InChIInChI=1S/C16H18N4O3S/c1-2-15(21)18-12-5-7-13(8-6-12)24(22,23)20-16-17-10-9-14(19-16)11-3-4-11/h5-11H,2-4H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyKKGKKKBASSHASN-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.50
Rot. Bonds6

About N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 126825101) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID126825101
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1
InChIInChI=1S/C16H18N4O3S/c1-2-15(21)18-12-5-7-13(8-6-12)24(22,23)20-16-17-10-9-14(19-16)11-3-4-11/h5-11H,2-4H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyKKGKKKBASSHASN-UHFFFAOYSA-N
XLogP2.50
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
CID 166220793
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 126825107
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-pyridin-2-ylsulfanylpropanamide
CID 25036549
N-[4-[(4-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25048024
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 9343822
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide
CID 49240371
2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30390308

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 126825101) is N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1.
What is the InChIKey of N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is KKGKKKBASSHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-2-15(21)18-12-5-7-13(8-6-12)24(22,23)20-16-17-10-9-14(19-16)11-3-4-11/h5-11H,2-4H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 346.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126825101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).