3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide

C10H8INOS2 — CID 130992683

IUPAC3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
SMILESCc1cscc1NC(=O)c1sccc1I
InChIInChI=1S/C10H8INOS2/c1-6-4-14-5-8(6)12-10(13)9-7(11)2-3-15-9/h2-5H,1H3,(H,12,13)
InChIKeyMZAYXPINQHGAEY-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.97
Rot. Bonds2

About 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide

3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide (PubChem CID 130992683) has the molecular formula C10H8INOS2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
PubChem CID130992683
Molecular FormulaC10H8INOS2
Molecular Weight349.22 g/mol
Exact Mass348.91
IUPAC Name3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
SMILESCc1cscc1NC(=O)c1sccc1I
InChIInChI=1S/C10H8INOS2/c1-6-4-14-5-8(6)12-10(13)9-7(11)2-3-15-9/h2-5H,1H3,(H,12,13)
InChIKeyMZAYXPINQHGAEY-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 130576160
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
[(3-iodothiophene-2-carbonyl)amino]thiourea
CID 130576836
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N'-(4-methylthiophen-3-yl)oxamide
CID 131086394
ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
CID 143490448
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide (CID 130992683) is 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide is Cc1cscc1NC(=O)c1sccc1I.
What is the InChIKey of 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide?
The InChIKey is MZAYXPINQHGAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INOS2/c1-6-4-14-5-8(6)12-10(13)9-7(11)2-3-15-9/h2-5H,1H3,(H,12,13).
What are the key properties of 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide?
3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 130992683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).