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

C26H23F2N3O4S — CID 25226368

IUPACN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F
InChIInChI=1S/C26H23F2N3O4S/c1-2-15-5-10-22-20(12-15)23(19-4-3-11-29-25(19)32)24(26(33)30-36(34,35)18-7-8-18)31(22)14-16-13-17(27)6-9-21(16)28/h3-6,9-13,18H,2,7-8,14H2,1H3,(H,29,32)(H,30,33)
InChIKeyKSAFHOHXQKKFBB-UHFFFAOYSA-N
MW511.55 g/mol
LogP4.11
Rot. Bonds7

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

N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25226368) has the molecular formula C26H23F2N3O4S and a molecular weight of 511.55 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25226368
Molecular FormulaC26H23F2N3O4S
Molecular Weight511.55 g/mol
Exact Mass511.14
IUPAC NameN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F
InChIInChI=1S/C26H23F2N3O4S/c1-2-15-5-10-22-20(12-15)23(19-4-3-11-29-25(19)32)24(26(33)30-36(34,35)18-7-8-18)31(22)14-16-13-17(27)6-9-21(16)28/h3-6,9-13,18H,2,7-8,14H2,1H3,(H,29,32)(H,30,33)
InChIKeyKSAFHOHXQKKFBB-UHFFFAOYSA-N
XLogP4.11
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25226368) is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-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)n2Cc1cc(F)ccc1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is KSAFHOHXQKKFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O4S/c1-2-15-5-10-22-20(12-15)23(19-4-3-11-29-25(19)32)24(26(33)30-36(34,35)18-7-8-18)31(22)14-16-13-17(27)6-9-21(16)28/h3-6,9-13,18H,2,7-8,14H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25226368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).