[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C22H25ClN2O6S — CID 46457201

IUPAC[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C22H25ClN2O6S/c1-12-5-8-16(32(28,29)25-15-6-7-15)10-17(12)22(27)31-14(3)21(26)24-19-9-13(2)18(23)11-20(19)30-4/h5,8-11,14-15,25H,6-7H2,1-4H3,(H,24,26)
InChIKeyBQRZZIMXGATXBE-UHFFFAOYSA-N
MW480.97 g/mol
LogP3.59
Rot. Bonds8

About [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 46457201) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID46457201
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC Name[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C22H25ClN2O6S/c1-12-5-8-16(32(28,29)25-15-6-7-15)10-17(12)22(27)31-14(3)21(26)24-19-9-13(2)18(23)11-20(19)30-4/h5,8-11,14-15,25H,6-7H2,1-4H3,(H,24,26)
InChIKeyBQRZZIMXGATXBE-UHFFFAOYSA-N
XLogP3.59
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate with MolForge

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Related Compounds

[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490112
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679283
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549965
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate
CID 43042529
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809147
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540414
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9310800
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46799014
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 46619526
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382415
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] furan-3-carboxylate
CID 46649016

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 46457201) is [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is COc1cc(Cl)c(C)cc1NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C.
What is the InChIKey of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is BQRZZIMXGATXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c1-12-5-8-16(32(28,29)25-15-6-7-15)10-17(12)22(27)31-14(3)21(26)24-19-9-13(2)18(23)11-20(19)30-4/h5,8-11,14-15,25H,6-7H2,1-4H3,(H,24,26).
What are the key properties of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate has a molecular weight of 480.97 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 46457201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).