N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C27H26FN3O4S — CID 58132538

IUPACN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccc(C)c1F
InChIInChI=1S/C27H26FN3O4S/c1-3-17-9-12-22-21(14-17)23(20-8-5-13-29-26(20)32)25(27(33)30-36(34,35)19-10-11-19)31(22)15-18-7-4-6-16(2)24(18)28/h4-9,12-14,19H,3,10-11,15H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyLUYHNDXQIRHMRP-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.28
Rot. Bonds7

About N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132538) has the molecular formula C27H26FN3O4S and a molecular weight of 507.59 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132538
Molecular FormulaC27H26FN3O4S
Molecular Weight507.59 g/mol
Exact Mass507.16
IUPAC NameN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccc(C)c1F
InChIInChI=1S/C27H26FN3O4S/c1-3-17-9-12-22-21(14-17)23(20-8-5-13-29-26(20)32)25(27(33)30-36(34,35)19-10-11-19)31(22)15-18-7-4-6-16(2)24(18)28/h4-9,12-14,19H,3,10-11,15H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyLUYHNDXQIRHMRP-UHFFFAOYSA-N
XLogP4.28
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132538) is N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccc(C)c1F.
What is the InChIKey of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is LUYHNDXQIRHMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4S/c1-3-17-9-12-22-21(14-17)23(20-8-5-13-29-26(20)32)25(27(33)30-36(34,35)19-10-11-19)31(22)15-18-7-4-6-16(2)24(18)28/h4-9,12-14,19H,3,10-11,15H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).