N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C24H27N3O4S — CID 55972659

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)NCc3ccc(S(=O)(=O)NC4CC4)cc3)c2C)c1
InChIInChI=1S/C24H27N3O4S/c1-16-13-23(17(2)27(16)20-5-4-6-21(14-20)31-3)24(28)25-15-18-7-11-22(12-8-18)32(29,30)26-19-9-10-19/h4-8,11-14,19,26H,9-10,15H2,1-3H3,(H,25,28)
InChIKeyKBZWBATXPCMPGP-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.47
Rot. Bonds8

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55972659) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55972659
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)NCc3ccc(S(=O)(=O)NC4CC4)cc3)c2C)c1
InChIInChI=1S/C24H27N3O4S/c1-16-13-23(17(2)27(16)20-5-4-6-21(14-20)31-3)24(28)25-15-18-7-11-22(12-8-18)32(29,30)26-19-9-10-19/h4-8,11-14,19,26H,9-10,15H2,1-3H3,(H,25,28)
InChIKeyKBZWBATXPCMPGP-UHFFFAOYSA-N
XLogP3.47
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2,5-dimethyl-N-[(4-nitrophenyl)methyl]pyrrole-3-carboxamide
CID 55982368
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrrole-3-carboxamide
CID 55961916
1-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46532183
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56568752
5-(cyclopropylsulfamoyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 39896410
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 37435447
1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
CID 55910695
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55846880
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 55972659) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is COc1cccc(-n2c(C)cc(C(=O)NCc3ccc(S(=O)(=O)NC4CC4)cc3)c2C)c1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is KBZWBATXPCMPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-16-13-23(17(2)27(16)20-5-4-6-21(14-20)31-3)24(28)25-15-18-7-11-22(12-8-18)32(29,30)26-19-9-10-19/h4-8,11-14,19,26H,9-10,15H2,1-3H3,(H,25,28).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55972659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).