5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide

C22H24N2O2S2 — CID 2801009

IUPAC5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2cccs2)cc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C22H24N2O2S2/c1-22(2,3)17-11-15(20(25)23-13-18-6-4-8-27-18)10-16(12-17)21(26)24-14-19-7-5-9-28-19/h4-12H,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRUMSAZZUOSOHIG-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.97
Rot. Bonds6

About 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide

5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 2801009) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID2801009
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC Name5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2cccs2)cc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C22H24N2O2S2/c1-22(2,3)17-11-15(20(25)23-13-18-6-4-8-27-18)10-16(12-17)21(26)24-14-19-7-5-9-28-19/h4-12H,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRUMSAZZUOSOHIG-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide (CID 2801009) is 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide is CC(C)(C)c1cc(C(=O)NCc2cccs2)cc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is RUMSAZZUOSOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-22(2,3)17-11-15(20(25)23-13-18-6-4-8-27-18)10-16(12-17)21(26)24-14-19-7-5-9-28-19/h4-12H,13-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide?
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 2801009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).