methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate

C19H25N3O5S — CID 17476649

IUPACmethyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)n(C)c1
InChIInChI=1S/C19H25N3O5S/c1-6-22(7-2)28(25,26)15-11-17(21(4)12-15)18(23)20-16-10-14(19(24)27-5)9-8-13(16)3/h8-12H,6-7H2,1-5H3,(H,20,23)
InChIKeyKCFQPGGFMWFPQQ-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.40
Rot. Bonds7

About methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate

methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate (PubChem CID 17476649) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
PubChem CID17476649
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Namemethyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)n(C)c1
InChIInChI=1S/C19H25N3O5S/c1-6-22(7-2)28(25,26)15-11-17(21(4)12-15)18(23)20-16-10-14(19(24)27-5)9-8-13(16)3/h8-12H,6-7H2,1-5H3,(H,20,23)
InChIKeyKCFQPGGFMWFPQQ-UHFFFAOYSA-N
XLogP2.40
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 34162390
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55782759
4-(diethylsulfamoyl)-1-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide
CID 34144529
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-diethyl-1-methylpyrrole-3-sulfonamide
CID 55454599
4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 17481631

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate (CID 17476649) is methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)n(C)c1.
What is the InChIKey of methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate?
The InChIKey is KCFQPGGFMWFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-6-22(7-2)28(25,26)15-11-17(21(4)12-15)18(23)20-16-10-14(19(24)27-5)9-8-13(16)3/h8-12H,6-7H2,1-5H3,(H,20,23).
What are the key properties of methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate?
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate has a molecular weight of 407.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate is sourced from PubChem (CID 17476649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).