N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide

C16H20N4O5S — CID 1010926

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C16H20N4O5S/c1-4-5-14(21)17-11-6-8-12(9-7-11)26(22,23)20-13-10-15(24-2)19-16(18-13)25-3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyZPBKBNZIECGLRQ-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.03
Rot. Bonds8

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide (PubChem CID 1010926) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide
PubChem CID1010926
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C16H20N4O5S/c1-4-5-14(21)17-11-6-8-12(9-7-11)26(22,23)20-13-10-15(24-2)19-16(18-13)25-3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyZPBKBNZIECGLRQ-UHFFFAOYSA-N
XLogP2.03
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Sulfadimethoxine
CID 5323
Sulfamonomethoxine
CID 5332
Sulfametomidine
CID 19596
N-(4-(((4,6-Dimethoxy-2-pyrimidinyl)amino)sulfonyl)phenyl)acetamide
CID 168167
N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-isobutyramide
CID 728482
4-{[4-Amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 5329599
4-((4-(((2,6-Dimethoxy-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-4-oxoisocrotonic acid
CID 5762148
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-succinamic acid
CID 3122824
N4-Acetylsulfadimethoxine
CID 473359
N-(4-(((2,6-Dimethyl-4-pyrimidinyl)amino)sulfonyl)phenyl)acetamide
CID 76625
Sulfamonomethoxine Sodium
CID 656643
Sulfadimethoxine Sodium
CID 13384041

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide (CID 1010926) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is ZPBKBNZIECGLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-4-5-14(21)17-11-6-8-12(9-7-11)26(22,23)20-13-10-15(24-2)19-16(18-13)25-3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 380.43 g/mol, XLogP of 2.03, 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-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 1010926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).