N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C29H30ClN3O5S — CID 23998603

IUPACN-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1
InChIInChI=1S/C29H30ClN3O5S/c1-17-14-18(2)20(4)28(19(17)3)39(37,38)32(16-22-8-6-7-9-25(22)30)26-15-27(35)33(29(26)36)24-12-10-23(11-13-24)31-21(5)34/h6-14,26H,15-16H2,1-5H3,(H,31,34)
InChIKeyYRWHNEFAHHUXST-UHFFFAOYSA-N
MW568.10 g/mol
LogP5.06
Rot. Bonds7

About N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 23998603) has the molecular formula C29H30ClN3O5S and a molecular weight of 568.10 g/mol. Its IUPAC name is N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID23998603
Molecular FormulaC29H30ClN3O5S
Molecular Weight568.10 g/mol
Exact Mass567.16
IUPAC NameN-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1
InChIInChI=1S/C29H30ClN3O5S/c1-17-14-18(2)20(4)28(19(17)3)39(37,38)32(16-22-8-6-7-9-25(22)30)26-15-27(35)33(29(26)36)24-12-10-23(11-13-24)31-21(5)34/h6-14,26H,15-16H2,1-5H3,(H,31,34)
InChIKeyYRWHNEFAHHUXST-UHFFFAOYSA-N
XLogP5.06
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.10
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23830752
[4-[3-[(2-chlorophenyl)methyl-naphthalen-2-ylsulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23801844
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2-chlorophenyl)methyl]-4-nitrobenzamide
CID 23916562
N-[(2-chlorophenyl)methyl]-4-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23772798
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858946
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23970661
N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743595
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23886878
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 25044940
ethyl 4-[3-[2-(3-chlorophenyl)ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23914848

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 23998603) is N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1.
What is the InChIKey of N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is YRWHNEFAHHUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O5S/c1-17-14-18(2)20(4)28(19(17)3)39(37,38)32(16-22-8-6-7-9-25(22)30)26-15-27(35)33(29(26)36)24-12-10-23(11-13-24)31-21(5)34/h6-14,26H,15-16H2,1-5H3,(H,31,34).
What are the key properties of N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 568.10 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23998603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).