N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide

C18H19FN2O5S — CID 147934206

IUPACN-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)CC2CC(O)C2)cc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C18H19FN2O5S/c1-26-16-4-3-14(27(24,25)10-11-6-13(22)7-11)8-15(16)18(23)21-17-5-2-12(19)9-20-17/h2-5,8-9,11,13,22H,6-7,10H2,1H3,(H,20,21,23)
InChIKeyIKMBFRRSYPXHJA-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.03
Rot. Bonds6

About N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide

N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide (PubChem CID 147934206) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide
PubChem CID147934206
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)CC2CC(O)C2)cc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C18H19FN2O5S/c1-26-16-4-3-14(27(24,25)10-11-6-13(22)7-11)8-15(16)18(23)21-17-5-2-12(19)9-20-17/h2-5,8-9,11,13,22H,6-7,10H2,1H3,(H,20,21,23)
InChIKeyIKMBFRRSYPXHJA-UHFFFAOYSA-N
XLogP2.03
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide (CID 147934206) is N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)CC2CC(O)C2)cc1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide?
The InChIKey is IKMBFRRSYPXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-26-16-4-3-14(27(24,25)10-11-6-13(22)7-11)8-15(16)18(23)21-17-5-2-12(19)9-20-17/h2-5,8-9,11,13,22H,6-7,10H2,1H3,(H,20,21,23).
What are the key properties of N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide?
N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide has a molecular weight of 394.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-5-[(3-hydroxycyclobutyl)methylsulfonyl]-2-methoxybenzamide is sourced from PubChem (CID 147934206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).