5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide

C15H16INOS — CID 78948571

IUPAC5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C15H16INOS/c1-10-5-3-4-6-12(10)7-11(2)17-15(18)13-8-14(16)19-9-13/h3-6,8-9,11H,7H2,1-2H3,(H,17,18)
InChIKeyQXZLHJUOEMZSSW-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.02
Rot. Bonds4

About 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide

5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide (PubChem CID 78948571) has the molecular formula C15H16INOS and a molecular weight of 385.27 g/mol. Its IUPAC name is 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
PubChem CID78948571
Molecular FormulaC15H16INOS
Molecular Weight385.27 g/mol
Exact Mass385.00
IUPAC Name5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C15H16INOS/c1-10-5-3-4-6-12(10)7-11(2)17-15(18)13-8-14(16)19-9-13/h3-6,8-9,11H,7H2,1-2H3,(H,17,18)
InChIKeyQXZLHJUOEMZSSW-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide (CID 78948571) is 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide is Cc1ccccc1CC(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide?
The InChIKey is QXZLHJUOEMZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INOS/c1-10-5-3-4-6-12(10)7-11(2)17-15(18)13-8-14(16)19-9-13/h3-6,8-9,11H,7H2,1-2H3,(H,17,18).
What are the key properties of 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide?
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 78948571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).