N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide

C12H18BrNOS — CID 106355164

IUPACN-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CCBr)C(C)C
InChIInChI=1S/C12H18BrNOS/c1-8(2)10(4-6-13)14-12(15)11-9(3)5-7-16-11/h5,7-8,10H,4,6H2,1-3H3,(H,14,15)
InChIKeyJVPQLMIONIRCRA-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.60
Rot. Bonds5

About N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide

N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide (PubChem CID 106355164) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
PubChem CID106355164
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CCBr)C(C)C
InChIInChI=1S/C12H18BrNOS/c1-8(2)10(4-6-13)14-12(15)11-9(3)5-7-16-11/h5,7-8,10H,4,6H2,1-3H3,(H,14,15)
InChIKeyJVPQLMIONIRCRA-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.60
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

(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
CID 114299504
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
N-(1-bromo-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 106355347
N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
CID 114316213
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
N-(1-bromo-3-methoxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 106184353
5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106355067
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 106355356

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide (CID 106355164) is N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(CCBr)C(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is JVPQLMIONIRCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8(2)10(4-6-13)14-12(15)11-9(3)5-7-16-11/h5,7-8,10H,4,6H2,1-3H3,(H,14,15).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide?
N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 304.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 106355164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).