2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide

C15H18BrNOS2 — CID 60953324

IUPAC2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C15H18BrNOS2/c1-11(2)14(16)15(18)17(9-12-5-3-7-19-12)10-13-6-4-8-20-13/h3-8,11,14H,9-10H2,1-2H3
InChIKeyVBSSYFGJUVVQPK-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.76
Rot. Bonds6

About 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide

2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide (PubChem CID 60953324) has the molecular formula C15H18BrNOS2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
PubChem CID60953324
Molecular FormulaC15H18BrNOS2
Molecular Weight372.35 g/mol
Exact Mass371.00
IUPAC Name2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C15H18BrNOS2/c1-11(2)14(16)15(18)17(9-12-5-3-7-19-12)10-13-6-4-8-20-13/h3-8,11,14H,9-10H2,1-2H3
InChIKeyVBSSYFGJUVVQPK-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
CID 104903015
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55125927
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 138547765
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide (CID 60953324) is 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide is CC(C)C(Br)C(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide?
The InChIKey is VBSSYFGJUVVQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS2/c1-11(2)14(16)15(18)17(9-12-5-3-7-19-12)10-13-6-4-8-20-13/h3-8,11,14H,9-10H2,1-2H3.
What are the key properties of 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide?
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide has a molecular weight of 372.35 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 60953324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).