N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide

C20H22FNO5S — CID 146793319

IUPACN-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)CC2CC[C@H](O)C2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FNO5S/c1-27-19-9-8-17(28(25,26)12-13-2-7-16(23)10-13)11-18(19)20(24)22-15-5-3-14(21)4-6-15/h3-6,8-9,11,13,16,23H,2,7,10,12H2,1H3,(H,22,24)/t13?,16-/m0/s1
InChIKeyRWGJGUCXVSAQHD-VYIIXAMBSA-N
MW407.46 g/mol
LogP3.02
Rot. Bonds6

About N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide

N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide (PubChem CID 146793319) has the molecular formula C20H22FNO5S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide
PubChem CID146793319
Molecular FormulaC20H22FNO5S
Molecular Weight407.46 g/mol
Exact Mass407.12
IUPAC NameN-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)CC2CC[C@H](O)C2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FNO5S/c1-27-19-9-8-17(28(25,26)12-13-2-7-16(23)10-13)11-18(19)20(24)22-15-5-3-14(21)4-6-15/h3-6,8-9,11,13,16,23H,2,7,10,12H2,1H3,(H,22,24)/t13?,16-/m0/s1
InChIKeyRWGJGUCXVSAQHD-VYIIXAMBSA-N
XLogP3.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide (CID 146793319) is N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)CC2CC[C@H](O)C2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide?
The InChIKey is RWGJGUCXVSAQHD-VYIIXAMBSA-N. The full InChI is InChI=1S/C20H22FNO5S/c1-27-19-9-8-17(28(25,26)12-13-2-7-16(23)10-13)11-18(19)20(24)22-15-5-3-14(21)4-6-15/h3-6,8-9,11,13,16,23H,2,7,10,12H2,1H3,(H,22,24)/t13?,16-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide?
N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide has a molecular weight of 407.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[[(3S)-3-hydroxycyclopentyl]methylsulfonyl]-2-methoxybenzamide is sourced from PubChem (CID 146793319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).