2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C15H16INOS — CID 79493991

IUPAC2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C15H16INOS/c1-11(10-12-6-5-9-19-12)17(2)15(18)13-7-3-4-8-14(13)16/h3-9,11H,10H2,1-2H3
InChIKeyBYNCEIGPGIOPQZ-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.06
Rot. Bonds4

About 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 79493991) has the molecular formula C15H16INOS and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID79493991
Molecular FormulaC15H16INOS
Molecular Weight385.27 g/mol
Exact Mass385.00
IUPAC Name2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C15H16INOS/c1-11(10-12-6-5-9-19-12)17(2)15(18)13-7-3-4-8-14(13)16/h3-9,11H,10H2,1-2H3
InChIKeyBYNCEIGPGIOPQZ-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103722067
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 113255783
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 79493991) is 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)N(C)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is BYNCEIGPGIOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INOS/c1-11(10-12-6-5-9-19-12)17(2)15(18)13-7-3-4-8-14(13)16/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 385.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 79493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).