methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate

C22H25ClN2O6S — CID 55561055

IUPACmethyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2Cl)CCCC1
InChIInChI=1S/C22H25ClN2O6S/c1-25(15-6-8-16(30-2)9-7-15)32(28,29)17-10-11-19(23)18(14-17)20(26)24-22(21(27)31-3)12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeyJVEPOJVTWNQQPR-UHFFFAOYSA-N
MW480.97 g/mol
LogP3.39
Rot. Bonds7

About methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 55561055) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID55561055
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC Namemethyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2Cl)CCCC1
InChIInChI=1S/C22H25ClN2O6S/c1-25(15-6-8-16(30-2)9-7-15)32(28,29)17-10-11-19(23)18(14-17)20(26)24-22(21(27)31-3)12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeyJVEPOJVTWNQQPR-UHFFFAOYSA-N
XLogP3.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55571977
2-chloro-N-(1-cyclopropylethyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17473386
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55435213
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 4132778
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265291
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 25162170
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55581937

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate (CID 55561055) is methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2Cl)CCCC1.
What is the InChIKey of methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is JVEPOJVTWNQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c1-25(15-6-8-16(30-2)9-7-15)32(28,29)17-10-11-19(23)18(14-17)20(26)24-22(21(27)31-3)12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,26).
What are the key properties of methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 480.97 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55561055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).