[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate

C23H26ClN3O5S — CID 43034077

IUPAC[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OC(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C23H26ClN3O5S/c1-5-27(6-2)33(30,31)16-11-12-18(24)20(13-16)26-22(28)15(4)32-23(29)21-14(3)25-19-10-8-7-9-17(19)21/h7-13,15,25H,5-6H2,1-4H3,(H,26,28)
InChIKeyGYINDFYQCCWYFO-UHFFFAOYSA-N
MW492.00 g/mol
LogP4.34
Rot. Bonds8

About [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate

[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate (PubChem CID 43034077) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
PubChem CID43034077
Molecular FormulaC23H26ClN3O5S
Molecular Weight492.00 g/mol
Exact Mass491.13
IUPAC Name[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OC(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C23H26ClN3O5S/c1-5-27(6-2)33(30,31)16-11-12-18(24)20(13-16)26-22(28)15(4)32-23(29)21-14(3)25-19-10-8-7-9-17(19)21/h7-13,15,25H,5-6H2,1-4H3,(H,26,28)
InChIKeyGYINDFYQCCWYFO-UHFFFAOYSA-N
XLogP4.34
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 42920800
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 35192808
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 35192804
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521809
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 6915026
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 46629476
[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 2505822
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 24519182
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 42972484
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55320752
4-O-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16501870

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate (CID 43034077) is [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OC(=O)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate?
The InChIKey is GYINDFYQCCWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-5-27(6-2)33(30,31)16-11-12-18(24)20(13-16)26-22(28)15(4)32-23(29)21-14(3)25-19-10-8-7-9-17(19)21/h7-13,15,25H,5-6H2,1-4H3,(H,26,28).
What are the key properties of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate?
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate has a molecular weight of 492.00 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 43034077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).