N-(5-iodopentyl)-3-methylthiophene-2-carboxamide

C11H16INOS — CID 107322386

IUPACN-(5-iodopentyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCCCI
InChIInChI=1S/C11H16INOS/c1-9-5-8-15-10(9)11(14)13-7-4-2-3-6-12/h5,8H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyJKZRYCLQEPCIIV-UHFFFAOYSA-N
MW337.23 g/mol
LogP3.39
Rot. Bonds6

About N-(5-iodopentyl)-3-methylthiophene-2-carboxamide

N-(5-iodopentyl)-3-methylthiophene-2-carboxamide (PubChem CID 107322386) has the molecular formula C11H16INOS and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(5-iodopentyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-3-methylthiophene-2-carboxamide
PubChem CID107322386
Molecular FormulaC11H16INOS
Molecular Weight337.23 g/mol
Exact Mass337.00
IUPAC NameN-(5-iodopentyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCCCI
InChIInChI=1S/C11H16INOS/c1-9-5-8-15-10(9)11(14)13-7-4-2-3-6-12/h5,8H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyJKZRYCLQEPCIIV-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(4-azidobutyl)-3-methylthiophene-2-carboxamide
CID 106386478
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
2-[(3-methylthiophene-2-carbonyl)amino]ethyl nitrate
CID 23367112
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
CID 64518007
N-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-methylthiophene-2-carboxamide
CID 71680184

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-iodopentyl)-3-methylthiophene-2-carboxamide (CID 107322386) is N-(5-iodopentyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-iodopentyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-iodopentyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCCCCI.
What is the InChIKey of N-(5-iodopentyl)-3-methylthiophene-2-carboxamide?
The InChIKey is JKZRYCLQEPCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INOS/c1-9-5-8-15-10(9)11(14)13-7-4-2-3-6-12/h5,8H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of N-(5-iodopentyl)-3-methylthiophene-2-carboxamide?
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 107322386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).