N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide

C22H24N4O5S — CID 19203957

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1
InChIInChI=1S/C22H24N4O5S/c1-14-12-21(24-16(3)23-14)26-32(28,29)20-10-8-17(9-11-20)25-22(27)15(2)31-19-7-5-6-18(13-19)30-4/h5-13,15H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyNWABPBZRMJFXOX-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.31
Rot. Bonds8

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide (PubChem CID 19203957) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
PubChem CID19203957
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1
InChIInChI=1S/C22H24N4O5S/c1-14-12-21(24-16(3)23-14)26-32(28,29)20-10-8-17(9-11-20)25-22(27)15(2)31-19-7-5-6-18(13-19)30-4/h5-13,15H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyNWABPBZRMJFXOX-UHFFFAOYSA-N
XLogP3.31
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 1307305
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
2-(2,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 53266438
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
(2S)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 92673273
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide (CID 19203957) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide is COc1cccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The InChIKey is NWABPBZRMJFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-12-21(24-16(3)23-14)26-32(28,29)20-10-8-17(9-11-20)25-22(27)15(2)31-19-7-5-6-18(13-19)30-4/h5-13,15H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide has a molecular weight of 456.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 19203957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).