3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide

C11H13BrN2O3S — CID 106165984

IUPAC3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3S/c12-7-1-3-8(4-2-7)18-6-10(16)14-5-9(15)11(13)17/h1-4,9,15H,5-6H2,(H2,13,17)(H,14,16)
InChIKeyPLGALLZSRDTSKV-UHFFFAOYSA-N
MW333.21 g/mol
LogP0.50
Rot. Bonds6

About 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide

3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide (PubChem CID 106165984) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
PubChem CID106165984
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3S/c12-7-1-3-8(4-2-7)18-6-10(16)14-5-9(15)11(13)17/h1-4,9,15H,5-6H2,(H2,13,17)(H,14,16)
InChIKeyPLGALLZSRDTSKV-UHFFFAOYSA-N
XLogP0.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868
2-hydroxy-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanamide
CID 106165597
5-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 82010497
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
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-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858278
methyl (2S)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 9277750
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide (CID 106165984) is 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide?
The InChIKey is PLGALLZSRDTSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-7-1-3-8(4-2-7)18-6-10(16)14-5-9(15)11(13)17/h1-4,9,15H,5-6H2,(H2,13,17)(H,14,16).
What are the key properties of 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide?
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide has a molecular weight of 333.21 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106165984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).