N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide

C20H23N3O4S — CID 119053236

IUPACN-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2ccccc2OC)CC1c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H23N3O4S/c1-4-20(24)23-18(14-9-5-7-11-16(14)22-28(3,25)26)13-17(21-23)15-10-6-8-12-19(15)27-2/h5-12,18,22H,4,13H2,1-3H3
InChIKeyNQANUOLUSZOYHC-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.15
Rot. Bonds6

About N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide

N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide (PubChem CID 119053236) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
PubChem CID119053236
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2ccccc2OC)CC1c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H23N3O4S/c1-4-20(24)23-18(14-9-5-7-11-16(14)22-28(3,25)26)13-17(21-23)15-10-6-8-12-19(15)27-2/h5-12,18,22H,4,13H2,1-3H3
InChIKeyNQANUOLUSZOYHC-UHFFFAOYSA-N
XLogP3.15
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3R)-5-(2-chlorophenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 124842816
4-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-[2-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 51474822
N-[2-[(3R)-2-acetyl-5-(2-methylphenyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 124738944
4-[5-(2-hydroxyphenyl)-3-[2-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136544253
N-[2-[(3R)-2-benzoyl-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 137052775
N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71906254
N-[2-[(3S)-2-(2-methoxyacetyl)-3-(2-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663364
N-[2-[(3S)-2-benzoyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41062412
N-[2-(2-propanoyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
CID 42649622
4-[(3R)-3-(2-fluorophenyl)-5-[2-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 40900768
N-[2-[5-(2-methylphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 119053202
1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 46030845

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide (CID 119053236) is N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide is CCC(=O)N1N=C(c2ccccc2OC)CC1c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is NQANUOLUSZOYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-20(24)23-18(14-9-5-7-11-16(14)22-28(3,25)26)13-17(21-23)15-10-6-8-12-19(15)27-2/h5-12,18,22H,4,13H2,1-3H3.
What are the key properties of N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 119053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).