N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide

C24H28N4O4S — CID 55932656

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O4S/c1-19-20(18-28(26-19)21-9-3-2-4-10-21)8-7-13-25-24(29)22-11-5-6-12-23(22)33(30,31)27-14-16-32-17-15-27/h2-6,9-12,18H,7-8,13-17H2,1H3,(H,25,29)
InChIKeyGUFYHAQGLCNRGZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.56
Rot. Bonds8

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55932656) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55932656
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O4S/c1-19-20(18-28(26-19)21-9-3-2-4-10-21)8-7-13-25-24(29)22-11-5-6-12-23(22)33(30,31)27-14-16-32-17-15-27/h2-6,9-12,18H,7-8,13-17H2,1H3,(H,25,29)
InChIKeyGUFYHAQGLCNRGZ-UHFFFAOYSA-N
XLogP2.56
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 46426763
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55721701
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46473758
N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622118

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide (CID 55932656) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GUFYHAQGLCNRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-19-20(18-28(26-19)21-9-3-2-4-10-21)8-7-13-25-24(29)22-11-5-6-12-23(22)33(30,31)27-14-16-32-17-15-27/h2-6,9-12,18H,7-8,13-17H2,1H3,(H,25,29).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55932656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).