N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide

C15H24BrNOS — CID 65426149

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H24BrNOS/c1-3-4-5-6-7-8-9-15(18)17(2)11-13-10-14(16)19-12-13/h10,12H,3-9,11H2,1-2H3
InChIKeyXXQOKEAMJDEKQP-UHFFFAOYSA-N
MW346.33 g/mol
LogP5.22
Rot. Bonds9

About N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide (PubChem CID 65426149) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
PubChem CID65426149
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H24BrNOS/c1-3-4-5-6-7-8-9-15(18)17(2)11-13-10-14(16)19-12-13/h10,12H,3-9,11H2,1-2H3
InChIKeyXXQOKEAMJDEKQP-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.33
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 62367265
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 63323822
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide (CID 65426149) is N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide is CCCCCCCCC(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide?
The InChIKey is XXQOKEAMJDEKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-3-4-5-6-7-8-9-15(18)17(2)11-13-10-14(16)19-12-13/h10,12H,3-9,11H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide has a molecular weight of 346.33 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide is sourced from PubChem (CID 65426149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).