4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide

C25H27N3O3S — CID 90619813

IUPAC4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCN3c3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3S/c1-19-7-5-11-24(17-19)32(30,31)27-21-14-12-20(13-15-21)25(29)26-18-23-10-6-16-28(23)22-8-3-2-4-9-22/h2-5,7-9,11-15,17,23,27H,6,10,16,18H2,1H3,(H,26,29)
InChIKeyGCCQWSJWTZUOIE-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.19
Rot. Bonds7

About 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide

4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 90619813) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
PubChem CID90619813
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCN3c3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3S/c1-19-7-5-11-24(17-19)32(30,31)27-21-14-12-20(13-15-21)25(29)26-18-23-10-6-16-28(23)22-8-3-2-4-9-22/h2-5,7-9,11-15,17,23,27H,6,10,16,18H2,1H3,(H,26,29)
InChIKeyGCCQWSJWTZUOIE-UHFFFAOYSA-N
XLogP4.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90619999
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 90619775
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 46403235
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
CID 30900136
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469
methyl 4-[(1-phenylpyrrolidin-2-yl)methylsulfamoyl]benzoate
CID 90620037
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (CID 90619813) is 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCN3c3ccccc3)cc2)c1.
What is the InChIKey of 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is GCCQWSJWTZUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-19-7-5-11-24(17-19)32(30,31)27-21-14-12-20(13-15-21)25(29)26-18-23-10-6-16-28(23)22-8-3-2-4-9-22/h2-5,7-9,11-15,17,23,27H,6,10,16,18H2,1H3,(H,26,29).
What are the key properties of 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 449.58 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 90619813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).