N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide

C16H18BrNO3S — CID 20882009

IUPACN-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C16H18BrNO3S/c17-13-5-7-14(8-6-13)18(15-9-10-22(20,21)11-15)16(19)12-3-1-2-4-12/h5-10,12,15H,1-4,11H2
InChIKeyLBUSAMOADAVHQA-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.28
Rot. Bonds3

About N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide

N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide (PubChem CID 20882009) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide
PubChem CID20882009
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC NameN-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C16H18BrNO3S/c17-13-5-7-14(8-6-13)18(15-9-10-22(20,21)11-15)16(19)12-3-1-2-4-12/h5-10,12,15H,1-4,11H2
InChIKeyLBUSAMOADAVHQA-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 7487536
N-(4-bromophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 7487545
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)cyclopropanecarboxamide
CID 40505518
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide
CID 40505720
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide
CID 40505721
N-(4-bromophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 2228824
N-(3-chloro-4-methylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclohexanecarboxamide
CID 40706184
4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)benzamide
CID 3588994
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 51400330
4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 44826563
N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2,6-difluorobenzamide
CID 43954845
N-(4-bromophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxyacetamide
CID 40506100

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide (CID 20882009) is N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide is O=C(C1CCCC1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide?
The InChIKey is LBUSAMOADAVHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c17-13-5-7-14(8-6-13)18(15-9-10-22(20,21)11-15)16(19)12-3-1-2-4-12/h5-10,12,15H,1-4,11H2.
What are the key properties of N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide?
N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide has a molecular weight of 384.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 20882009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).