2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide

C18H15ClN2O4S — CID 90495692

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H15ClN2O4S/c19-17-11-13(21(23)24)5-6-16(17)18(22)20(12-14-3-1-9-25-14)8-7-15-4-2-10-26-15/h1-6,9-11H,7-8,12H2
InChIKeyCHKXLMWHPXESPX-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.79
Rot. Bonds7

About 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90495692) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90495692
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H15ClN2O4S/c19-17-11-13(21(23)24)5-6-16(17)18(22)20(12-14-3-1-9-25-14)8-7-15-4-2-10-26-15/h1-6,9-11H,7-8,12H2
InChIKeyCHKXLMWHPXESPX-UHFFFAOYSA-N
XLogP4.79
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495710
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084705
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 37484213
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-4-nitro-N-prop-2-enylbenzamide
CID 42664628
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
2-chloro-N,N-bis(2-hydroxyethyl)-4-nitrobenzamide
CID 60653170
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,2-oxazole-5-carboxamide
CID 71781319
N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 31836850
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 61050877
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide (CID 90495692) is 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is CHKXLMWHPXESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c19-17-11-13(21(23)24)5-6-16(17)18(22)20(12-14-3-1-9-25-14)8-7-15-4-2-10-26-15/h1-6,9-11H,7-8,12H2.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 390.85 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90495692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).