3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide

C21H22N4O4S — CID 56520139

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-6-7-15(2)19(10-14)30(28,29)24-9-8-20(27)25-17-12-22-21(23-13-17)16-4-3-5-18(26)11-16/h3-7,10-13,24,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyVZBBHKGJCTXSRL-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.77
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide (PubChem CID 56520139) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
PubChem CID56520139
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-6-7-15(2)19(10-14)30(28,29)24-9-8-20(27)25-17-12-22-21(23-13-17)16-4-3-5-18(26)11-16/h3-7,10-13,24,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyVZBBHKGJCTXSRL-UHFFFAOYSA-N
XLogP2.77
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56519883
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55689090
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 42989426
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 46822994
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 24636271
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide (CID 56520139) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The InChIKey is VZBBHKGJCTXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-6-7-15(2)19(10-14)30(28,29)24-9-8-20(27)25-17-12-22-21(23-13-17)16-4-3-5-18(26)11-16/h3-7,10-13,24,26H,8-9H2,1-2H3,(H,25,27).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide has a molecular weight of 426.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 56520139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).