N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide

C17H20N2O2S — CID 1120381

IUPACN-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)19-16(21)12-6-4-7-13(10-12)18-15(20)11-14-8-5-9-22-14/h4-10H,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFTXBPTALMVLZIL-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.46
Rot. Bonds4

About N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide

N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide (PubChem CID 1120381) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide
PubChem CID1120381
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)19-16(21)12-6-4-7-13(10-12)18-15(20)11-14-8-5-9-22-14/h4-10H,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFTXBPTALMVLZIL-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 736373
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HDAC inhibitor, Compound 1
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N-(2-methylphenyl)-2-(2-thienyl)acetamide
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N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
CID 782642
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The IUPAC name of N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide (CID 1120381) is N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The InChIKey is FTXBPTALMVLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-17(2,3)19-16(21)12-6-4-7-13(10-12)18-15(20)11-14-8-5-9-22-14/h4-10H,11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide has a molecular weight of 316.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-thiophen-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 1120381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).