N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide

C19H26N4O3S — CID 166220793

IUPACN-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1
InChIInChI=1S/C19H26N4O3S/c1-2-19(24)20-15-9-11-16(12-10-15)27(25,26)23-18-13-17(21-22-18)14-7-5-3-4-6-8-14/h9-14H,2-8H2,1H3,(H,20,24)(H2,21,22,23)
InChIKeyHATQVJKVWVGJKK-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide

N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 166220793) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID166220793
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1
InChIInChI=1S/C19H26N4O3S/c1-2-19(24)20-15-9-11-16(12-10-15)27(25,26)23-18-13-17(21-22-18)14-7-5-3-4-6-8-14/h9-14H,2-8H2,1H3,(H,20,24)(H2,21,22,23)
InChIKeyHATQVJKVWVGJKK-UHFFFAOYSA-N
XLogP4.00
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide (CID 166220793) is N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1.
What is the InChIKey of N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is HATQVJKVWVGJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-2-19(24)20-15-9-11-16(12-10-15)27(25,26)23-18-13-17(21-22-18)14-7-5-3-4-6-8-14/h9-14H,2-8H2,1H3,(H,20,24)(H2,21,22,23).
What are the key properties of N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide?
N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 166220793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).