N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide

C20H23FN2O5S — CID 146256043

IUPACN-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)[C@H]2CCOC2)cc1C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C20H23FN2O5S/c1-13-10-14(4-6-18(13)21)22-20(24)17-11-15(5-7-19(17)27-3)23(2)29(25,26)16-8-9-28-12-16/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyUFJAFZATXCSDES-INIZCTEOSA-N
MW422.48 g/mol
LogP2.95
Rot. Bonds6

About N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide

N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide (PubChem CID 146256043) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide
PubChem CID146256043
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)[C@H]2CCOC2)cc1C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C20H23FN2O5S/c1-13-10-14(4-6-18(13)21)22-20(24)17-11-15(5-7-19(17)27-3)23(2)29(25,26)16-8-9-28-12-16/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyUFJAFZATXCSDES-INIZCTEOSA-N
XLogP2.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide (CID 146256043) is N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide is COc1ccc(N(C)S(=O)(=O)[C@H]2CCOC2)cc1C(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide?
The InChIKey is UFJAFZATXCSDES-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-13-10-14(4-6-18(13)21)22-20(24)17-11-15(5-7-19(17)27-3)23(2)29(25,26)16-8-9-28-12-16/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide?
N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide has a molecular weight of 422.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide is sourced from PubChem (CID 146256043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).