5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide

C19H18FN3O2S — CID 38769661

IUPAC5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H18FN3O2S/c1-23(11-18(24)22-15-5-3-4-6-17(15)26-2)19(25)16-10-12-9-13(20)7-8-14(12)21-16/h3-10,21H,11H2,1-2H3,(H,22,24)
InChIKeyBBUXURKUILMZCA-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.74
Rot. Bonds5

About 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide

5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 38769661) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID38769661
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H18FN3O2S/c1-23(11-18(24)22-15-5-3-4-6-17(15)26-2)19(25)16-10-12-9-13(20)7-8-14(12)21-16/h3-10,21H,11H2,1-2H3,(H,22,24)
InChIKeyBBUXURKUILMZCA-UHFFFAOYSA-N
XLogP3.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 51144379
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 38488734
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide (CID 38769661) is 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is BBUXURKUILMZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-23(11-18(24)22-15-5-3-4-6-17(15)26-2)19(25)16-10-12-9-13(20)7-8-14(12)21-16/h3-10,21H,11H2,1-2H3,(H,22,24).
What are the key properties of 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 38769661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).