N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C21H30N4O5S — CID 135968591

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C21H30N4O5S/c1-6-25(7-2)31(28,29)16-9-11-19(30-8-3)18(13-16)24-20(26)12-10-17-14(4)22-15(5)23-21(17)27/h9,11,13H,6-8,10,12H2,1-5H3,(H,24,26)(H,22,23,27)
InChIKeyQKORGNMJKIHLAB-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.39
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135968591) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135968591
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C21H30N4O5S/c1-6-25(7-2)31(28,29)16-9-11-19(30-8-3)18(13-16)24-20(26)12-10-17-14(4)22-15(5)23-21(17)27/h9,11,13H,6-8,10,12H2,1-5H3,(H,24,26)(H,22,23,27)
InChIKeyQKORGNMJKIHLAB-UHFFFAOYSA-N
XLogP2.39
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 135889048
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 135888029
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 135968579
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 43025835
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 26736268
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135968591) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QKORGNMJKIHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-6-25(7-2)31(28,29)16-9-11-19(30-8-3)18(13-16)24-20(26)12-10-17-14(4)22-15(5)23-21(17)27/h9,11,13H,6-8,10,12H2,1-5H3,(H,24,26)(H,22,23,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135968591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).