2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide

C17H11ClN2O4S2 — CID 121131720

IUPAC2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(c1cccs1)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1
InChIInChI=1S/C17H11ClN2O4S2/c18-13-5-3-10(20(23)24)8-12(13)17(22)19-9-11-4-6-15(26-11)16(21)14-2-1-7-25-14/h1-8H,9H2,(H,19,22)
InChIKeyUFPHKCUUPOUCRH-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.53
Rot. Bonds6

About 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide

2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 121131720) has the molecular formula C17H11ClN2O4S2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID121131720
Molecular FormulaC17H11ClN2O4S2
Molecular Weight406.87 g/mol
Exact Mass405.98
IUPAC Name2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(c1cccs1)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1
InChIInChI=1S/C17H11ClN2O4S2/c18-13-5-3-10(20(23)24)8-12(13)17(22)19-9-11-4-6-15(26-11)16(21)14-2-1-7-25-14/h1-8H,9H2,(H,19,22)
InChIKeyUFPHKCUUPOUCRH-UHFFFAOYSA-N
XLogP4.53
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]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

3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
N-[(5-benzoylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 90612908
2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 103803189
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-nitrobenzamide
CID 121122574
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitrobenzamide
CID 61284015
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-5-nitrobenzamide
CID 108737623
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide (CID 121131720) is 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide is O=C(c1cccs1)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is UFPHKCUUPOUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4S2/c18-13-5-3-10(20(23)24)8-12(13)17(22)19-9-11-4-6-15(26-11)16(21)14-2-1-7-25-14/h1-8H,9H2,(H,19,22).
What are the key properties of 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 406.87 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 121131720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).