N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C25H25BrN2O4S2 — CID 23970661

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(Cc2cccs2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)c1C
InChIInChI=1S/C25H25BrN2O4S2/c1-15-12-16(2)18(4)24(17(15)3)34(31,32)27(14-21-6-5-11-33-21)22-13-23(29)28(25(22)30)20-9-7-19(26)8-10-20/h5-12,22H,13-14H2,1-4H3
InChIKeyPQLYRZOLUDQJIB-UHFFFAOYSA-N
MW561.52 g/mol
LogP5.27
Rot. Bonds6

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 23970661) has the molecular formula C25H25BrN2O4S2 and a molecular weight of 561.52 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID23970661
Molecular FormulaC25H25BrN2O4S2
Molecular Weight561.52 g/mol
Exact Mass560.04
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(Cc2cccs2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)c1C
InChIInChI=1S/C25H25BrN2O4S2/c1-15-12-16(2)18(4)24(17(15)3)34(31,32)27(14-21-6-5-11-33-21)22-13-23(29)28(25(22)30)20-9-7-19(26)8-10-20/h5-12,22H,13-14H2,1-4H3
InChIKeyPQLYRZOLUDQJIB-UHFFFAOYSA-N
XLogP5.27
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886708
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886826
N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23830752
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886856
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 23886714
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23830776
N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23998603
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743631
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 23774484
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
N-tert-butyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23914825
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743675

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 23970661) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2cccs2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)c1C.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is PQLYRZOLUDQJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4S2/c1-15-12-16(2)18(4)24(17(15)3)34(31,32)27(14-21-6-5-11-33-21)22-13-23(29)28(25(22)30)20-9-7-19(26)8-10-20/h5-12,22H,13-14H2,1-4H3.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 561.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23970661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).