N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide

C32H30FN3O6S2 — CID 58132311

IUPACN-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide
SMILESCCc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)CS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccccc1F
InChIInChI=1S/C32H30FN3O6S2/c1-4-21-14-15-28-26(17-21)30(25-12-8-16-34-32(25)42-2)31(36(28)19-22-9-5-6-13-27(22)33)29(37)20-44(40,41)24-11-7-10-23(18-24)35-43(3,38)39/h5-18,35H,4,19-20H2,1-3H3
InChIKeyJZKVOZSCZBCQGL-UHFFFAOYSA-N
MW635.74 g/mol
LogP5.49
Rot. Bonds11

About N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide

N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide (PubChem CID 58132311) has the molecular formula C32H30FN3O6S2 and a molecular weight of 635.74 g/mol. Its IUPAC name is N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide
PubChem CID58132311
Molecular FormulaC32H30FN3O6S2
Molecular Weight635.74 g/mol
Exact Mass635.16
IUPAC NameN-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide
SMILESCCc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)CS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccccc1F
InChIInChI=1S/C32H30FN3O6S2/c1-4-21-14-15-28-26(17-21)30(25-12-8-16-34-32(25)42-2)31(36(28)19-22-9-5-6-13-27(22)33)29(37)20-44(40,41)24-11-7-10-23(18-24)35-43(3,38)39/h5-18,35H,4,19-20H2,1-3H3
InChIKeyJZKVOZSCZBCQGL-UHFFFAOYSA-N
XLogP5.49
TPSA124.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.74
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide (CID 58132311) is N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide is CCc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)CS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccccc1F.
What is the InChIKey of N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide?
The InChIKey is JZKVOZSCZBCQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O6S2/c1-4-21-14-15-28-26(17-21)30(25-12-8-16-34-32(25)42-2)31(36(28)19-22-9-5-6-13-27(22)33)29(37)20-44(40,41)24-11-7-10-23(18-24)35-43(3,38)39/h5-18,35H,4,19-20H2,1-3H3.
What are the key properties of N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide?
N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide has a molecular weight of 635.74 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-oxoethyl]sulfonylphenyl]methanesulfonamide is sourced from PubChem (CID 58132311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).