2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide

C17H21N3O4S — CID 164643441

IUPAC2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
SMILESCc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCO[C@@H]2c2ccn[nH]2)c1C
InChIInChI=1S/C17H21N3O4S/c1-10-8-12(25(3,22)23)9-13(11(10)2)17(21)19-14-5-7-24-16(14)15-4-6-18-20-15/h4,6,8-9,14,16H,5,7H2,1-3H3,(H,18,20)(H,19,21)/t14-,16-/m0/s1
InChIKeyOIYCYRQNMWKDNO-HOCLYGCPSA-N
MW363.44 g/mol
LogP1.69
Rot. Bonds4

About 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide

2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide (PubChem CID 164643441) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
PubChem CID164643441
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
SMILESCc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCO[C@@H]2c2ccn[nH]2)c1C
InChIInChI=1S/C17H21N3O4S/c1-10-8-12(25(3,22)23)9-13(11(10)2)17(21)19-14-5-7-24-16(14)15-4-6-18-20-15/h4,6,8-9,14,16H,5,7H2,1-3H3,(H,18,20)(H,19,21)/t14-,16-/m0/s1
InChIKeyOIYCYRQNMWKDNO-HOCLYGCPSA-N
XLogP1.69
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]carbamoyl]benzenesulfonyl fluoride
CID 164629447
5-cyclohexyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thiophene-3-carboxamide
CID 164630111
4-fluoro-3-(methylsulfanylmethyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
CID 136584456
rac-3-{[(2R,3R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]oxolan-3-yl]carbamoyl}benzene-1-sulfonyl fluoride
CID 138029628
CID 138989424
CID 138989424
3-(cyclohexylsulfamoyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-pyrazol-5-yl)benzamide
CID 45162929
2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide
CID 126826594
2,3-dimethyl-5-methylsulfonyl-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
CID 132321975
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
CID 136536345
4-(ethylsulfanylmethyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
CID 136584457
5-cyclohexyl-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thiophene-3-carboxamide
CID 138024109

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide?
The IUPAC name of 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide (CID 164643441) is 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide.
What is the SMILES notation for 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide?
The canonical SMILES for 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide is Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCO[C@@H]2c2ccn[nH]2)c1C.
What is the InChIKey of 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide?
The InChIKey is OIYCYRQNMWKDNO-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-8-12(25(3,22)23)9-13(11(10)2)17(21)19-14-5-7-24-16(14)15-4-6-18-20-15/h4,6,8-9,14,16H,5,7H2,1-3H3,(H,18,20)(H,19,21)/t14-,16-/m0/s1.
What are the key properties of 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide?
2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide is sourced from PubChem (CID 164643441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).