3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C22H24N2O3S — CID 31836048

IUPAC3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1
InChIInChI=1S/C22H24N2O3S/c1-22(2,3)21(26)23-17-8-4-7-16(13-17)20(25)24(14-18-9-5-11-27-18)15-19-10-6-12-28-19/h4-13H,14-15H2,1-3H3,(H,23,26)
InChIKeyHZPQTNVPKXSNQB-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.17
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 31836048) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID31836048
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1
InChIInChI=1S/C22H24N2O3S/c1-22(2,3)21(26)23-17-8-4-7-16(13-17)20(25)24(14-18-9-5-11-27-18)15-19-10-6-12-28-19/h4-13H,14-15H2,1-3H3,(H,23,26)
InChIKeyHZPQTNVPKXSNQB-UHFFFAOYSA-N
XLogP5.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 31836707
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 27833022
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 31836048) is 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HZPQTNVPKXSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-22(2,3)21(26)23-17-8-4-7-16(13-17)20(25)24(14-18-9-5-11-27-18)15-19-10-6-12-28-19/h4-13H,14-15H2,1-3H3,(H,23,26).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31836048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).