N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide

C26H23FN2O4S — CID 134534512

IUPACN-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide
SMILESCOc1ccccc1-c1cn(-c2ccc(F)cc2)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccc12
InChIInChI=1S/C26H23FN2O4S/c1-33-25-5-3-2-4-22(25)23-15-29(20-9-7-18(27)8-10-20)24-14-17(6-11-21(23)24)26(30)28-19-12-13-34(31,32)16-19/h2-11,14-15,19H,12-13,16H2,1H3,(H,28,30)
InChIKeyGHVDJUOZDDBCEZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.36
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide

N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide (PubChem CID 134534512) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide
PubChem CID134534512
Molecular FormulaC26H23FN2O4S
Molecular Weight478.55 g/mol
Exact Mass478.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide
SMILESCOc1ccccc1-c1cn(-c2ccc(F)cc2)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccc12
InChIInChI=1S/C26H23FN2O4S/c1-33-25-5-3-2-4-22(25)23-15-29(20-9-7-18(27)8-10-20)24-14-17(6-11-21(23)24)26(30)28-19-12-13-34(31,32)16-19/h2-11,14-15,19H,12-13,16H2,1H3,(H,28,30)
InChIKeyGHVDJUOZDDBCEZ-UHFFFAOYSA-N
XLogP4.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zafirlukast
CID 5717
Masilukast
CID 204056
LTD4 antagonist 1
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2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1H-indol-5-yl}-acetamide
CID 14626857
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindol-5-yl]carbamate
CID 14626814
N-[3-(4-Benzenesulfonylaminocarbonyl-2-methoxy-benzyl)-1-methyl-1H-indol-5-yl]-2-cyclopentyl-acetamide
CID 14626819
2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-acetamide
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N-{4-[5-(3-Cyclopentyl-ureido)-1-methyl-1H-indol-3-ylmethyl]-3-methoxy-benzoyl}-2-methyl-benzenesulfonamide
CID 14626863
N-[4-[6-(N-Cyclopentylmethylcarbamoyl)-3-[2-(N-methylcarbamoyl)ethyl]indol-1-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulphonamide
CID 15013783
N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)indole-6-carboxamide
CID 15013785
N-(cyclopentylmethyl)-3-[3-(dimethylamino)-2-methyl-3-oxopropyl]-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indole-6-carboxamide
CID 15013791
{1-Formyl-3-[2-methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1H-indol-5-yl}-carbamic acid cyclopentyl ester
CID 15872199

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide (CID 134534512) is N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide is COc1ccccc1-c1cn(-c2ccc(F)cc2)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccc12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide?
The InChIKey is GHVDJUOZDDBCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c1-33-25-5-3-2-4-22(25)23-15-29(20-9-7-18(27)8-10-20)24-14-17(6-11-21(23)24)26(30)28-19-12-13-34(31,32)16-19/h2-11,14-15,19H,12-13,16H2,1H3,(H,28,30).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(2-methoxyphenyl)indole-6-carboxamide is sourced from PubChem (CID 134534512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).