N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide

C20H20N4O4S — CID 3145073

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O4S/c1-14-12-13-21-20(22-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)15(2)28-17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVFSIYISBDRTWGH-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide (PubChem CID 3145073) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
PubChem CID3145073
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O4S/c1-14-12-13-21-20(22-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)15(2)28-17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVFSIYISBDRTWGH-UHFFFAOYSA-N
XLogP2.99
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
[1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 25043766
2-(4-chloro-2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 2932272
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266709
(2R)-2-(3,5-dimethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1305241
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide (CID 3145073) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide?
The InChIKey is VFSIYISBDRTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-14-12-13-21-20(22-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)15(2)28-17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide has a molecular weight of 412.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 3145073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).