(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide

C16H16BrN3OS — CID 9298914

IUPAC(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C16H16BrN3OS/c1-11(20(2)10-13-7-8-15(17)22-13)16(21)19-14-6-4-3-5-12(14)9-18/h3-8,11H,10H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyHNJYJNFQFPFDNU-LLVKDONJSA-N
MW378.30 g/mol
LogP3.84
Rot. Bonds5

About (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide

(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide (PubChem CID 9298914) has the molecular formula C16H16BrN3OS and a molecular weight of 378.30 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
PubChem CID9298914
Molecular FormulaC16H16BrN3OS
Molecular Weight378.30 g/mol
Exact Mass377.02
IUPAC Name(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C16H16BrN3OS/c1-11(20(2)10-13-7-8-15(17)22-13)16(21)19-14-6-4-3-5-12(14)9-18/h3-8,11H,10H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyHNJYJNFQFPFDNU-LLVKDONJSA-N
XLogP3.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)propanamide
CID 17491400
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
(2S)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26435325
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide (CID 9298914) is (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide is C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(Br)s1.
What is the InChIKey of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide?
The InChIKey is HNJYJNFQFPFDNU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16BrN3OS/c1-11(20(2)10-13-7-8-15(17)22-13)16(21)19-14-6-4-3-5-12(14)9-18/h3-8,11H,10H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide?
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide has a molecular weight of 378.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 9298914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).