N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide

C12H16ClNO2S — CID 81129766

IUPACN-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC2CC(Cl)C2)c1
InChIInChI=1S/C12H16ClNO2S/c1-14(6-8-3-9(13)4-8)12(15)11-5-10(16-2)7-17-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyPJZJIOBXNSOBBN-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.85
Rot. Bonds4

About N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide

N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 81129766) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID81129766
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC2CC(Cl)C2)c1
InChIInChI=1S/C12H16ClNO2S/c1-14(6-8-3-9(13)4-8)12(15)11-5-10(16-2)7-17-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyPJZJIOBXNSOBBN-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 102638182
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
4-methoxy-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 81122595
N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81124563
4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 81118506
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
3,5-dibromo-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 107974843
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (CID 81129766) is N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)CC2CC(Cl)C2)c1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is PJZJIOBXNSOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-14(6-8-3-9(13)4-8)12(15)11-5-10(16-2)7-17-11/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 273.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).