4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C17H18BrN3O4S2 — CID 41172425

IUPAC4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C17H18BrN3O4S2/c18-14-7-8-16(26-14)27(24,25)20-13-5-3-12(4-6-13)17(23)19-11-15(22)21-9-1-2-10-21/h3-8,20H,1-2,9-11H2,(H,19,23)
InChIKeyYWSJZXAPIFSXLE-UHFFFAOYSA-N
MW472.39 g/mol
LogP2.66
Rot. Bonds6

About 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 41172425) has the molecular formula C17H18BrN3O4S2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID41172425
Molecular FormulaC17H18BrN3O4S2
Molecular Weight472.39 g/mol
Exact Mass470.99
IUPAC Name4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C17H18BrN3O4S2/c18-14-7-8-16(26-14)27(24,25)20-13-5-3-12(4-6-13)17(23)19-11-15(22)21-9-1-2-10-21/h3-8,20H,1-2,9-11H2,(H,19,23)
InChIKeyYWSJZXAPIFSXLE-UHFFFAOYSA-N
XLogP2.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1006732
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
CID 24542625
5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 53067986
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 167946545

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 41172425) is 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YWSJZXAPIFSXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4S2/c18-14-7-8-16(26-14)27(24,25)20-13-5-3-12(4-6-13)17(23)19-11-15(22)21-9-1-2-10-21/h3-8,20H,1-2,9-11H2,(H,19,23).
What are the key properties of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 472.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 41172425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).