N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide

C12H14ClNO2S2 — CID 114163177

IUPACN-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H14ClNO2S2/c1-16-7-8(13)2-4-14-12(15)11-6-10-9(18-11)3-5-17-10/h3,5-6,8H,2,4,7H2,1H3,(H,14,15)
InChIKeyHGLGJARMKCSZTN-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.34
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 114163177) has the molecular formula C12H14ClNO2S2 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID114163177
Molecular FormulaC12H14ClNO2S2
Molecular Weight303.84 g/mol
Exact Mass303.02
IUPAC NameN-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H14ClNO2S2/c1-16-7-8(13)2-4-14-12(15)11-6-10-9(18-11)3-5-17-10/h3,5-6,8H,2,4,7H2,1H3,(H,14,15)
InChIKeyHGLGJARMKCSZTN-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-(3-chloro-4-methoxybutyl)-3-ethylthiophene-2-carboxamide
CID 106243561
N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80721923
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide (CID 114163177) is N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide is COCC(Cl)CCNC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is HGLGJARMKCSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S2/c1-16-7-8(13)2-4-14-12(15)11-6-10-9(18-11)3-5-17-10/h3,5-6,8H,2,4,7H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 303.84 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 114163177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).