3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

C19H19N3O3S — CID 118663049

IUPAC3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(16-11-20-21-12-16)18(10-15)26(2,24)25/h3-13H,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyUPWPMMDUDYSIOB-CYBMUJFWSA-N
MW369.45 g/mol
LogP2.97
Rot. Bonds5

About 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663049) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663049
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(16-11-20-21-12-16)18(10-15)26(2,24)25/h3-13H,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyUPWPMMDUDYSIOB-CYBMUJFWSA-N
XLogP2.97
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354062
3-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85469693
3-methoxy-N-(1-naphthalen-2-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90354155
3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90375300
3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118668478
4-methylsulfonyl-3-nitro-N-(1-phenylethyl)benzamide
CID 112759832
3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
3-methoxy-N-[1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470505
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118663049) is 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is UPWPMMDUDYSIOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(16-11-20-21-12-16)18(10-15)26(2,24)25/h3-13H,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1.
What are the key properties of 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).