[3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone

C24H18F2N2O4S2 — CID 46350885

IUPAC[3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(S(=O)(=O)c2c(Nc3ccccc3F)sc(C(=O)c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C24H18F2N2O4S2/c1-32-16-10-12-17(13-11-16)34(30,31)23-20(27)22(21(29)14-6-8-15(25)9-7-14)33-24(23)28-19-5-3-2-4-18(19)26/h2-13,28H,27H2,1H3
InChIKeyFFKSUPOZXOUDNZ-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.42
Rot. Bonds7

About [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone

[3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone (PubChem CID 46350885) has the molecular formula C24H18F2N2O4S2 and a molecular weight of 500.55 g/mol. Its IUPAC name is [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
PubChem CID46350885
Molecular FormulaC24H18F2N2O4S2
Molecular Weight500.55 g/mol
Exact Mass500.07
IUPAC Name[3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(S(=O)(=O)c2c(Nc3ccccc3F)sc(C(=O)c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C24H18F2N2O4S2/c1-32-16-10-12-17(13-11-16)34(30,31)23-20(27)22(21(29)14-6-8-15(25)9-7-14)33-24(23)28-19-5-3-2-4-18(19)26/h2-13,28H,27H2,1H3
InChIKeyFFKSUPOZXOUDNZ-UHFFFAOYSA-N
XLogP5.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-amino-5-(2-ethylanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 46350902
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
CID 46350935
[3-amino-5-(2-methoxyanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-chlorophenyl)methanone
CID 46350864
[3-amino-4-(benzenesulfonyl)-5-(2-fluoroanilino)thiophen-2-yl]-phenylmethanone
CID 2138487
[3-amino-5-(3-methoxyanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 46350847
[3-amino-5-(4-methoxyanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 22424305
[3-amino-5-(2-fluoroanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(3-methoxyphenyl)methanone
CID 46350807
[3-amino-4-(4-methoxyphenyl)sulfonyl-5-(2-methylanilino)thiophen-2-yl]-phenylmethanone
CID 2141314
[3-amino-5-(2-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 2144816
[3-amino-5-(3-methoxyanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-phenylmethanone
CID 46350845
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2,4-dimethylanilino)thiophen-2-yl]-(4-fluorophenyl)methanone
CID 46350963
[3-amino-5-(3-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-methoxyphenyl)methanone
CID 16956216

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone (CID 46350885) is [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone is COc1ccc(S(=O)(=O)c2c(Nc3ccccc3F)sc(C(=O)c3ccc(F)cc3)c2N)cc1.
What is the InChIKey of [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is FFKSUPOZXOUDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4S2/c1-32-16-10-12-17(13-11-16)34(30,31)23-20(27)22(21(29)14-6-8-15(25)9-7-14)33-24(23)28-19-5-3-2-4-18(19)26/h2-13,28H,27H2,1H3.
What are the key properties of [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone?
[3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 500.55 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2-fluoroanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46350885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).