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

C22H24N2O2S2 — CID 31841528

IUPAC3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N(Cc2cccs2)Cc2cccs2)c1
InChIInChI=1S/C22H24N2O2S2/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)
InChIKeyFTVFUNWODDVYBK-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.64
Rot. Bonds6

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

3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31841528) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31841528
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC Name3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N(Cc2cccs2)Cc2cccs2)c1
InChIInChI=1S/C22H24N2O2S2/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)
InChIKeyFTVFUNWODDVYBK-UHFFFAOYSA-N
XLogP5.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 31836048
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-(2,2-dimethylpropanoylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 49056474
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 134057619
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
CID 120587025
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 31836707
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31841528) is 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N(Cc2cccs2)Cc2cccs2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is FTVFUNWODDVYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/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,N-bis(thiophen-2-ylmethyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 412.58 g/mol, XLogP of 5.64, 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,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31841528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).