2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide

C18H17NO3S2 — CID 25246363

IUPAC2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)c(O)c1
InChIInChI=1S/C18H17NO3S2/c1-22-13-6-7-16(17(20)10-13)18(21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2-10,20H,11-12H2,1H3
InChIKeyBQBASHBRCRXSPW-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.37
Rot. Bonds6

About 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide

2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 25246363) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID25246363
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)c(O)c1
InChIInChI=1S/C18H17NO3S2/c1-22-13-6-7-16(17(20)10-13)18(21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2-10,20H,11-12H2,1H3
InChIKeyBQBASHBRCRXSPW-UHFFFAOYSA-N
XLogP4.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 25246363) is 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is BQBASHBRCRXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-22-13-6-7-16(17(20)10-13)18(21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2-10,20H,11-12H2,1H3.
What are the key properties of 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 25246363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).