N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide

C22H24N4O4S — CID 2443855

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-4-13-30-19-9-5-17(6-10-19)22(27)25-18-7-11-20(12-8-18)31(28,29)26-21-14-15(2)23-16(3)24-21/h5-12,14H,4,13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyNRJVWPAWZILQDA-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.94
Rot. Bonds8

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide (PubChem CID 2443855) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
PubChem CID2443855
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-4-13-30-19-9-5-17(6-10-19)22(27)25-18-7-11-20(12-8-18)31(28,29)26-21-14-15(2)23-16(3)24-21/h5-12,14H,4,13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyNRJVWPAWZILQDA-UHFFFAOYSA-N
XLogP3.94
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
3-(4-butoxyphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 2792103
4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 4936152
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 2206745
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 4089233
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide (CID 2443855) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide?
The InChIKey is NRJVWPAWZILQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-4-13-30-19-9-5-17(6-10-19)22(27)25-18-7-11-20(12-8-18)31(28,29)26-21-14-15(2)23-16(3)24-21/h5-12,14H,4,13H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide has a molecular weight of 440.53 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide is sourced from PubChem (CID 2443855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).