2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C14H17BrN2O2S — CID 51321713

IUPAC2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(=O)N1CCCC1
InChIInChI=1S/C14H17BrN2O2S/c15-11-3-5-12(6-4-11)20-10-13(18)16-9-14(19)17-7-1-2-8-17/h3-6H,1-2,7-10H2,(H,16,18)
InChIKeyCFXMFGNGGZHFKX-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 51321713) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID51321713
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(=O)N1CCCC1
InChIInChI=1S/C14H17BrN2O2S/c15-11-3-5-12(6-4-11)20-10-13(18)16-9-14(19)17-7-1-2-8-17/h3-6H,1-2,7-10H2,(H,16,18)
InChIKeyCFXMFGNGGZHFKX-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
5-(4-bromophenyl)-5-oxo-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110633482
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760679
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026679
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 7780244
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858278
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 51321713) is 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(CSc1ccc(Br)cc1)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is CFXMFGNGGZHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c15-11-3-5-12(6-4-11)20-10-13(18)16-9-14(19)17-7-1-2-8-17/h3-6H,1-2,7-10H2,(H,16,18).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 357.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 51321713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).