2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C17H14ClNO2S — CID 71804069

IUPAC2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C17H14ClNO2S/c18-16-6-2-1-5-15(16)17(20)19(10-13-7-8-21-12-13)11-14-4-3-9-22-14/h1-9,12H,10-11H2
InChIKeySQDCUTOCPYDTKP-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.84
Rot. Bonds5

About 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 71804069) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID71804069
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C17H14ClNO2S/c18-16-6-2-1-5-15(16)17(20)19(10-13-7-8-21-12-13)11-14-4-3-9-22-14/h1-9,12H,10-11H2
InChIKeySQDCUTOCPYDTKP-UHFFFAOYSA-N
XLogP4.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 71804179
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
N-(furan-3-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 90582947
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056
2-(2-fluorophenoxy)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 71804082
(E)-N-(furan-3-ylmethyl)-3-thiophen-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 71804105
2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 23997268
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 71804140
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 71804069) is 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is SQDCUTOCPYDTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c18-16-6-2-1-5-15(16)17(20)19(10-13-7-8-21-12-13)11-14-4-3-9-22-14/h1-9,12H,10-11H2.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 331.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 71804069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).