N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide

C12H16BrNO2S — CID 81129895

IUPACN-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)CC1CC(Br)C1
InChIInChI=1S/C12H16BrNO2S/c1-14(7-8-5-9(13)6-8)12(15)11-10(16-2)3-4-17-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWFJVGORXNHGZSR-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.00
Rot. Bonds4

About N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide

N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 81129895) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
PubChem CID81129895
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)CC1CC(Br)C1
InChIInChI=1S/C12H16BrNO2S/c1-14(7-8-5-9(13)6-8)12(15)11-10(16-2)3-4-17-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWFJVGORXNHGZSR-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.00
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

N-[(3-bromocyclobutyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 80676384
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 80673655
N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 115760287
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945937
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
N-[(3-bromocyclobutyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 80672115
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766
N-[(3-bromocyclobutyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
CID 82815478
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
N-[(3-bromocyclobutyl)methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 80672473
N-[(3-bromocyclobutyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 80672915
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide (CID 81129895) is N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide is COc1ccsc1C(=O)N(C)CC1CC(Br)C1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is WFJVGORXNHGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-14(7-8-5-9(13)6-8)12(15)11-10(16-2)3-4-17-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81129895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).