(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide

C14H10BrClN2O2S — CID 8728164

IUPAC(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H10BrClN2O2S/c1-8(20-12-3-2-10(16)6-11(12)15)13(19)18-14-9(7-17)4-5-21-14/h2-6,8H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyFPAKRZPBLCPKIU-QMMMGPOBSA-N
MW385.67 g/mol
LogP4.44
Rot. Bonds4

About (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide

(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 8728164) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID8728164
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H10BrClN2O2S/c1-8(20-12-3-2-10(16)6-11(12)15)13(19)18-14-9(7-17)4-5-21-14/h2-6,8H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyFPAKRZPBLCPKIU-QMMMGPOBSA-N
XLogP4.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
CID 8728168
2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 2117847
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16575515
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8999202
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 9310117
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide (CID 8728164) is (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide is C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1sccc1C#N.
What is the InChIKey of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is FPAKRZPBLCPKIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-8(20-12-3-2-10(16)6-11(12)15)13(19)18-14-9(7-17)4-5-21-14/h2-6,8H,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide?
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 385.67 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 8728164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).