2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

C24H21N3O4S — CID 50913867

IUPAC2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C24H21N3O4S/c1-31-19-8-6-16(7-9-19)22-15-20(32(2,29)30)10-11-21(22)24(28)26-18-5-3-4-17(14-18)23-12-13-25-27-23/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyBDVMAIJOTKTWCF-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.41
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 50913867) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID50913867
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C24H21N3O4S/c1-31-19-8-6-16(7-9-19)22-15-20(32(2,29)30)10-11-21(22)24(28)26-18-5-3-4-17(14-18)23-12-13-25-27-23/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyBDVMAIJOTKTWCF-UHFFFAOYSA-N
XLogP4.41
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797255
methyl 2,4-dimethyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46602095
4-methoxy-N,2-diphenylbenzamide
CID 156739257
4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70797526
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55369373
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062849
3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518369

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (CID 50913867) is 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is COc1ccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is BDVMAIJOTKTWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-31-19-8-6-16(7-9-19)22-15-20(32(2,29)30)10-11-21(22)24(28)26-18-5-3-4-17(14-18)23-12-13-25-27-23/h3-15H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 447.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 50913867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).