N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide

C15H19BrN2O2S — CID 5180125

IUPACN-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1cccc(Br)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H19BrN2O2S/c1-11(19)17-14(15(20)18-7-2-3-8-18)10-21-13-6-4-5-12(16)9-13/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyCYAOVZRPSZZEDV-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.67
Rot. Bonds5

About N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide

N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 5180125) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID5180125
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC NameN-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1cccc(Br)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H19BrN2O2S/c1-11(19)17-14(15(20)18-7-2-3-8-18)10-21-13-6-4-5-12(16)9-13/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyCYAOVZRPSZZEDV-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 3980341
N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-bromophenyl)sulfanyl-1-oxopropan-2-yl]acetamide
CID 4320343
N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3349548
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 3972925
2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
CID 4562126
N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3558958
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxypropyl)propanamide
CID 3657102
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 4267476
1-[2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 4543790
N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4286432
N-[1-oxo-1-(4-phenylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide
CID 4222798

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 5180125) is N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide is CC(=O)NC(CSc1cccc(Br)c1)C(=O)N1CCCC1.
What is the InChIKey of N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is CYAOVZRPSZZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-11(19)17-14(15(20)18-7-2-3-8-18)10-21-13-6-4-5-12(16)9-13/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 371.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 5180125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).