N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

C16H21BrN2O3S — CID 86904363

IUPACN-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESCC(CNC(=O)CCCN1CCOC1=O)Sc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O3S/c1-12(23-14-6-4-13(17)5-7-14)11-18-15(20)3-2-8-19-9-10-22-16(19)21/h4-7,12H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyGWYYNVNLYYITPZ-UHFFFAOYSA-N
MW401.33 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (PubChem CID 86904363) has the molecular formula C16H21BrN2O3S and a molecular weight of 401.33 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
PubChem CID86904363
Molecular FormulaC16H21BrN2O3S
Molecular Weight401.33 g/mol
Exact Mass400.05
IUPAC NameN-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESCC(CNC(=O)CCCN1CCOC1=O)Sc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O3S/c1-12(23-14-6-4-13(17)5-7-14)11-18-15(20)3-2-8-19-9-10-22-16(19)21/h4-7,12H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyGWYYNVNLYYITPZ-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-1,3-oxazolidin-3-yl)butanehydrazide
CID 61405937
(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
CID 119322850
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide
CID 94596926
(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
CID 95240217
N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782383
4-amino-N-(2-phenylsulfanylpropyl)butanamide
CID 119335487
2-[2-(4-bromophenyl)sulfanylpropylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184859
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-[2-(4-bromophenyl)sulfanylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 86904362
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119322831
N-[(2-methylphenyl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686856

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (CID 86904363) is N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is CC(CNC(=O)CCCN1CCOC1=O)Sc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The InChIKey is GWYYNVNLYYITPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3S/c1-12(23-14-6-4-13(17)5-7-14)11-18-15(20)3-2-8-19-9-10-22-16(19)21/h4-7,12H,2-3,8-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide has a molecular weight of 401.33 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is sourced from PubChem (CID 86904363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).