2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide

C11H14BrNO3S — CID 66176868

IUPAC2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(O)CO
InChIInChI=1S/C11H14BrNO3S/c12-8-1-3-10(4-2-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16)
InChIKeyNNINDRTVMRXVEE-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.01
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 66176868) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
PubChem CID66176868
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(O)CO
InChIInChI=1S/C11H14BrNO3S/c12-8-1-3-10(4-2-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16)
InChIKeyNNINDRTVMRXVEE-UHFFFAOYSA-N
XLogP1.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984
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
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574
methyl (2S)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 9277750

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide (CID 66176868) is 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide is O=C(CSc1ccc(Br)cc1)NCC(O)CO.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is NNINDRTVMRXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c12-8-1-3-10(4-2-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 320.21 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 66176868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).