2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C16H18INOS — CID 103722067

IUPAC2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCc1cccc(C(=O)N(C)C(C)Cc2cccs2)c1I
InChIInChI=1S/C16H18INOS/c1-11-6-4-8-14(15(11)17)16(19)18(3)12(2)10-13-7-5-9-20-13/h4-9,12H,10H2,1-3H3
InChIKeyHVGSVBHFYNBNPG-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.36
Rot. Bonds4

About 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 103722067) has the molecular formula C16H18INOS and a molecular weight of 399.30 g/mol. Its IUPAC name is 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID103722067
Molecular FormulaC16H18INOS
Molecular Weight399.30 g/mol
Exact Mass399.02
IUPAC Name2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCc1cccc(C(=O)N(C)C(C)Cc2cccs2)c1I
InChIInChI=1S/C16H18INOS/c1-11-6-4-8-14(15(11)17)16(19)18(3)12(2)10-13-7-5-9-20-13/h4-9,12H,10H2,1-3H3
InChIKeyHVGSVBHFYNBNPG-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.36
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-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
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
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 113255783
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652
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
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 103722067) is 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide is Cc1cccc(C(=O)N(C)C(C)Cc2cccs2)c1I.
What is the InChIKey of 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is HVGSVBHFYNBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INOS/c1-11-6-4-8-14(15(11)17)16(19)18(3)12(2)10-13-7-5-9-20-13/h4-9,12H,10H2,1-3H3.
What are the key properties of 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103722067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).