N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide

C10H13ClINO2S — CID 106244389

IUPACN-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1csc(I)c1
InChIInChI=1S/C10H13ClINO2S/c1-15-5-8(11)2-3-13-10(14)7-4-9(12)16-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,14)
InChIKeyQGWYEVKYUWVJGP-UHFFFAOYSA-N
MW373.64 g/mol
LogP2.73
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide

N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide (PubChem CID 106244389) has the molecular formula C10H13ClINO2S and a molecular weight of 373.64 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
PubChem CID106244389
Molecular FormulaC10H13ClINO2S
Molecular Weight373.64 g/mol
Exact Mass372.94
IUPAC NameN-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1csc(I)c1
InChIInChI=1S/C10H13ClINO2S/c1-15-5-8(11)2-3-13-10(14)7-4-9(12)16-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,14)
InChIKeyQGWYEVKYUWVJGP-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
CID 106243639
5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
CID 106244834
N-(3-chloro-4-methoxybutyl)-4-methylsulfanylbenzamide
CID 114163276
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide (CID 106244389) is N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide is COCC(Cl)CCNC(=O)c1csc(I)c1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide?
The InChIKey is QGWYEVKYUWVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClINO2S/c1-15-5-8(11)2-3-13-10(14)7-4-9(12)16-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide?
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide has a molecular weight of 373.64 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 106244389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).