(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide

C15H16BrClN2OS — CID 9298947

IUPAC(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C15H16BrClN2OS/c1-10(19(2)9-13-7-8-14(16)21-13)15(20)18-12-5-3-11(17)4-6-12/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyQRIKCYFBGPBFBT-SNVBAGLBSA-N
MW387.73 g/mol
LogP4.62
Rot. Bonds5

About (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide

(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide (PubChem CID 9298947) has the molecular formula C15H16BrClN2OS and a molecular weight of 387.73 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
PubChem CID9298947
Molecular FormulaC15H16BrClN2OS
Molecular Weight387.73 g/mol
Exact Mass385.99
IUPAC Name(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C15H16BrClN2OS/c1-10(19(2)9-13-7-8-14(16)21-13)15(20)18-12-5-3-11(17)4-6-12/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyQRIKCYFBGPBFBT-SNVBAGLBSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.73
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
(2S)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26435325
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 9298914
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
2-[2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 55431901
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 9357555
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide
CID 55431922
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84973908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide?
The IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide (CID 9298947) is (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc(Br)s1.
What is the InChIKey of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide?
The InChIKey is QRIKCYFBGPBFBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16BrClN2OS/c1-10(19(2)9-13-7-8-14(16)21-13)15(20)18-12-5-3-11(17)4-6-12/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide?
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide has a molecular weight of 387.73 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 9298947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).