3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide

C22H28N2O5S2 — CID 55864853

IUPAC3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C22H28N2O5S2/c1-16-6-5-7-17(2)22(16)24-31(28,29)20-12-10-18(11-13-20)23-21(25)14-15-30(26,27)19-8-3-4-9-19/h5-7,10-13,19,24H,3-4,8-9,14-15H2,1-2H3,(H,23,25)
InChIKeyVONSXVKEFWKVAV-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.79
Rot. Bonds8

About 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide

3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 55864853) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID55864853
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C22H28N2O5S2/c1-16-6-5-7-17(2)22(16)24-31(28,29)20-12-10-18(11-13-20)23-21(25)14-15-30(26,27)19-8-3-4-9-19/h5-7,10-13,19,24H,3-4,8-9,14-15H2,1-2H3,(H,23,25)
InChIKeyVONSXVKEFWKVAV-UHFFFAOYSA-N
XLogP3.79
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 55789622
3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
CID 86997629
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49362888
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
ethyl 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 4933964

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide (CID 55864853) is 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is VONSXVKEFWKVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-16-6-5-7-17(2)22(16)24-31(28,29)20-12-10-18(11-13-20)23-21(25)14-15-30(26,27)19-8-3-4-9-19/h5-7,10-13,19,24H,3-4,8-9,14-15H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 55864853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).