(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide

C13H21BrN2OS — CID 93367998

IUPAC(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H21BrN2OS/c1-4-16(8-10-5-6-12(14)18-10)13(17)11(15)7-9(2)3/h5-6,9,11H,4,7-8,15H2,1-3H3/t11-/m1/s1
InChIKeyVBXKKXXRVVRJKK-LLVKDONJSA-N
MW333.30 g/mol
LogP3.23
Rot. Bonds6

About (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide

(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide (PubChem CID 93367998) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
PubChem CID93367998
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H21BrN2OS/c1-4-16(8-10-5-6-12(14)18-10)13(17)11(15)7-9(2)3/h5-6,9,11H,4,7-8,15H2,1-3H3/t11-/m1/s1
InChIKeyVBXKKXXRVVRJKK-LLVKDONJSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938199
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methoxypropanamide
CID 81082576
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
CID 79195708
2-(2-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66220672
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 119767637
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
CID 104903015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide (CID 93367998) is (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide is CCN(Cc1ccc(Br)s1)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide?
The InChIKey is VBXKKXXRVVRJKK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-4-16(8-10-5-6-12(14)18-10)13(17)11(15)7-9(2)3/h5-6,9,11H,4,7-8,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide?
(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide has a molecular weight of 333.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 93367998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).