N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide

C21H23NO3S — CID 8894977

IUPACN-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C21H23NO3S/c1-16(2)25-15-17-7-9-18(10-8-17)21(23)22(13-19-5-3-11-24-19)14-20-6-4-12-26-20/h3-12,16H,13-15H2,1-2H3
InChIKeyZIQWBDWVUXSSGE-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.11
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide

N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 8894977) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID8894977
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C21H23NO3S/c1-16(2)25-15-17-7-9-18(10-8-17)21(23)22(13-19-5-3-11-24-19)14-20-6-4-12-26-20/h3-12,16H,13-15H2,1-2H3
InChIKeyZIQWBDWVUXSSGE-UHFFFAOYSA-N
XLogP5.11
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9094982
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 62839379
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 8894977) is N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide is CC(C)OCc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZIQWBDWVUXSSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-16(2)25-15-17-7-9-18(10-8-17)21(23)22(13-19-5-3-11-24-19)14-20-6-4-12-26-20/h3-12,16H,13-15H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 369.49 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 8894977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).