N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C19H25N3O4S — CID 47066182

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC2CCCC2)n(C)c1
InChIInChI=1S/C19H25N3O4S/c1-20-27(24,25)16-11-17(22(2)13-16)19(23)21-12-14-7-3-6-10-18(14)26-15-8-4-5-9-15/h3,6-7,10-11,13,15,20H,4-5,8-9,12H2,1-2H3,(H,21,23)
InChIKeyJZHNVVQWNZEYIL-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.18
Rot. Bonds7

About N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 47066182) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID47066182
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC2CCCC2)n(C)c1
InChIInChI=1S/C19H25N3O4S/c1-20-27(24,25)16-11-17(22(2)13-16)19(23)21-12-14-7-3-6-10-18(14)26-15-8-4-5-9-15/h3,6-7,10-11,13,15,20H,4-5,8-9,12H2,1-2H3,(H,21,23)
InChIKeyJZHNVVQWNZEYIL-UHFFFAOYSA-N
XLogP2.18
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 38262529
N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 52656968
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
CID 126784049

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 47066182) is N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC2CCCC2)n(C)c1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is JZHNVVQWNZEYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-20-27(24,25)16-11-17(22(2)13-16)19(23)21-12-14-7-3-6-10-18(14)26-15-8-4-5-9-15/h3,6-7,10-11,13,15,20H,4-5,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 47066182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).