5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide

C12H18INO2S — CID 78949637

IUPAC5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
SMILESCC(C)COCCCNC(=O)c1csc(I)c1
InChIInChI=1S/C12H18INO2S/c1-9(2)7-16-5-3-4-14-12(15)10-6-11(13)17-8-10/h6,8-9H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyASFAHAHCLPBCDE-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.15
Rot. Bonds7

About 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide

5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide (PubChem CID 78949637) has the molecular formula C12H18INO2S and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
PubChem CID78949637
Molecular FormulaC12H18INO2S
Molecular Weight367.25 g/mol
Exact Mass367.01
IUPAC Name5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
SMILESCC(C)COCCCNC(=O)c1csc(I)c1
InChIInChI=1S/C12H18INO2S/c1-9(2)7-16-5-3-4-14-12(15)10-6-11(13)17-8-10/h6,8-9H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyASFAHAHCLPBCDE-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide (CID 78949637) is 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide is CC(C)COCCCNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
The InChIKey is ASFAHAHCLPBCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2S/c1-9(2)7-16-5-3-4-14-12(15)10-6-11(13)17-8-10/h6,8-9H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).