methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate

C18H25ClN2O5S — CID 55571977

IUPACmethyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCCC1
InChIInChI=1S/C18H25ClN2O5S/c1-12(2)21(3)27(24,25)13-7-8-15(19)14(11-13)16(22)20-18(17(23)26-4)9-5-6-10-18/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,22)
InChIKeyQPHJIUBEYIXLBL-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.58
Rot. Bonds6

About methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 55571977) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID55571977
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Namemethyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCCC1
InChIInChI=1S/C18H25ClN2O5S/c1-12(2)21(3)27(24,25)13-7-8-15(19)14(11-13)16(22)20-18(17(23)26-4)9-5-6-10-18/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,22)
InChIKeyQPHJIUBEYIXLBL-UHFFFAOYSA-N
XLogP2.58
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55561055
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
methyl 1-[(2-chloro-4-nitrobenzoyl)amino]cyclohexane-1-carboxylate
CID 25467190
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
methyl 6-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]hexanoate
CID 46798864
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 78862754
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
methyl 3-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994276
methyl 5-[[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612422

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate (CID 55571977) is methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCCC1.
What is the InChIKey of methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is QPHJIUBEYIXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c1-12(2)21(3)27(24,25)13-7-8-15(19)14(11-13)16(22)20-18(17(23)26-4)9-5-6-10-18/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,22).
What are the key properties of methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 416.93 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55571977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).