ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate

C15H24N2O4S — CID 22515783

IUPACethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C
InChIInChI=1S/C15H24N2O4S/c1-4-21-15(18)14-9-13(10-17(14)3)22(19,20)16-12-7-5-11(2)6-8-12/h9-12,16H,4-8H2,1-3H3
InChIKeyYZVSDIURAVSKFE-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.06
Rot. Bonds5

About ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate

ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate (PubChem CID 22515783) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
PubChem CID22515783
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nameethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C
InChIInChI=1S/C15H24N2O4S/c1-4-21-15(18)14-9-13(10-17(14)3)22(19,20)16-12-7-5-11(2)6-8-12/h9-12,16H,4-8H2,1-3H3
InChIKeyYZVSDIURAVSKFE-UHFFFAOYSA-N
XLogP2.06
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-{[4-(aminocarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809929
methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-methylphenyl)sulfonyl)-, ethyl ester
CID 464830
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3485661
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076
methyl 1-methyl-4-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
CID 6623860

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate (CID 22515783) is ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is YZVSDIURAVSKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-21-15(18)14-9-13(10-17(14)3)22(19,20)16-12-7-5-11(2)6-8-12/h9-12,16H,4-8H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 22515783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).