5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide

C10H13Br2NOS — CID 83178239

IUPAC5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)CCBr)sc1Br
InChIInChI=1S/C10H13Br2NOS/c1-6-5-8(15-9(6)12)10(14)13-7(2)3-4-11/h5,7H,3-4H2,1-2H3,(H,13,14)
InChIKeyJJWXNYCFDPFXMD-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 83178239) has the molecular formula C10H13Br2NOS and a molecular weight of 355.10 g/mol. Its IUPAC name is 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID83178239
Molecular FormulaC10H13Br2NOS
Molecular Weight355.10 g/mol
Exact Mass352.91
IUPAC Name5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)CCBr)sc1Br
InChIInChI=1S/C10H13Br2NOS/c1-6-5-8(15-9(6)12)10(14)13-7(2)3-4-11/h5,7H,3-4H2,1-2H3,(H,13,14)
InChIKeyJJWXNYCFDPFXMD-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 83178836
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
CID 82939691
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 79926896
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563587
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981541
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981900
(2S)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanedioic acid
CID 79981681
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanedioic acid
CID 79981827

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide (CID 83178239) is 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC(C)CCBr)sc1Br.
What is the InChIKey of 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is JJWXNYCFDPFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NOS/c1-6-5-8(15-9(6)12)10(14)13-7(2)3-4-11/h5,7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 355.10 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 83178239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).