N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

C19H20N4O4S — CID 55471999

IUPACN-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N4O4S/c1-27-18-9-8-16(28(20,25)26)11-17(18)22-19(24)10-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyMSXKTGLGJOLATK-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.10
Rot. Bonds7

About N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 55471999) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID55471999
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N4O4S/c1-27-18-9-8-16(28(20,25)26)11-17(18)22-19(24)10-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyMSXKTGLGJOLATK-UHFFFAOYSA-N
XLogP2.10
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621818
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46597453
N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614506
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 55471999) is N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is MSXKTGLGJOLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-27-18-9-8-16(28(20,25)26)11-17(18)22-19(24)10-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,24)(H2,20,25,26).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 400.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55471999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).