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

C20H23N3O4S — CID 2978893

IUPACN-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-20(24)23-19(15-7-11-17(27-2)12-8-15)13-18(21-23)14-5-9-16(10-6-14)22-28(3,25)26/h5-12,19,22H,4,13H2,1-3H3
InChIKeyGGKPPRUKQMIKLM-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.15
Rot. Bonds6

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

N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 2978893) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID2978893
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-20(24)23-19(15-7-11-17(27-2)12-8-15)13-18(21-23)14-5-9-16(10-6-14)22-28(3,25)26/h5-12,19,22H,4,13H2,1-3H3
InChIKeyGGKPPRUKQMIKLM-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 2978893) is N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc(OC)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is GGKPPRUKQMIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-20(24)23-19(15-7-11-17(27-2)12-8-15)13-18(21-23)14-5-9-16(10-6-14)22-28(3,25)26/h5-12,19,22H,4,13H2,1-3H3.
What are the key properties of N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-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-[4-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 2978893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).