N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide

C10H14ClNO2S — CID 114301701

IUPACN-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCC(C)Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-7(11)3-4-12-10(13)9-5-8(14-2)6-15-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyCOITZWCJPKVDKK-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.50
Rot. Bonds5

About N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide

N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide (PubChem CID 114301701) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
PubChem CID114301701
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCC(C)Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-7(11)3-4-12-10(13)9-5-8(14-2)6-15-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyCOITZWCJPKVDKK-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide (CID 114301701) is N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCCC(C)Cl)c1.
What is the InChIKey of N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is COITZWCJPKVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(11)3-4-12-10(13)9-5-8(14-2)6-15-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide?
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 247.75 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 114301701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).