methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate

C19H23ClN2O5S2 — CID 46603309

IUPACmethyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(CC(=O)OC)c2cccs2)c1
InChIInChI=1S/C19H23ClN2O5S2/c1-4-22(5-2)29(25,26)13-8-9-15(20)14(11-13)19(24)21-16(12-18(23)27-3)17-7-6-10-28-17/h6-11,16H,4-5,12H2,1-3H3,(H,21,24)
InChIKeyQLRAXAIFBCJQOT-UHFFFAOYSA-N
MW458.99 g/mol
LogP3.47
Rot. Bonds9

About methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate

methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 46603309) has the molecular formula C19H23ClN2O5S2 and a molecular weight of 458.99 g/mol. Its IUPAC name is methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID46603309
Molecular FormulaC19H23ClN2O5S2
Molecular Weight458.99 g/mol
Exact Mass458.07
IUPAC Namemethyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(CC(=O)OC)c2cccs2)c1
InChIInChI=1S/C19H23ClN2O5S2/c1-4-22(5-2)29(25,26)13-8-9-15(20)14(11-13)19(24)21-16(12-18(23)27-3)17-7-6-10-28-17/h6-11,16H,4-5,12H2,1-3H3,(H,21,24)
InChIKeyQLRAXAIFBCJQOT-UHFFFAOYSA-N
XLogP3.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2374684
methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate
CID 17483777
methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 106686047
methyl 3-[(4-chloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 81229017
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66482550
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
methyl 3-[(2-bromobenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 42937932
methyl 3-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994276
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate (CID 46603309) is methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(CC(=O)OC)c2cccs2)c1.
What is the InChIKey of methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is QLRAXAIFBCJQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S2/c1-4-22(5-2)29(25,26)13-8-9-15(20)14(11-13)19(24)21-16(12-18(23)27-3)17-7-6-10-28-17/h6-11,16H,4-5,12H2,1-3H3,(H,21,24).
What are the key properties of methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 458.99 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46603309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).