N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide

C22H25N3O3S — CID 20963940

IUPACN-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2cccn2Cc2ccccc2C)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-22(26)24-19-10-12-21(13-11-19)29(27,28)23-15-20-9-6-14-25(20)16-18-8-5-4-7-17(18)2/h4-14,23H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyXMILSKHXSZUOJC-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.67
Rot. Bonds8

About N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide

N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide (PubChem CID 20963940) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide
PubChem CID20963940
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2cccn2Cc2ccccc2C)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-22(26)24-19-10-12-21(13-11-19)29(27,28)23-15-20-9-6-14-25(20)16-18-8-5-4-7-17(18)2/h4-14,23H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyXMILSKHXSZUOJC-UHFFFAOYSA-N
XLogP3.67
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
CID 20963925
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951475
1-acetyl-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 53086202
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-ethoxybenzenesulfonamide
CID 20963959
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38351202
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401206

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide (CID 20963940) is N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCc2cccn2Cc2ccccc2C)cc1.
What is the InChIKey of N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide?
The InChIKey is XMILSKHXSZUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-22(26)24-19-10-12-21(13-11-19)29(27,28)23-15-20-9-6-14-25(20)16-18-8-5-4-7-17(18)2/h4-14,23H,3,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide?
N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide has a molecular weight of 411.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 20963940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).