2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide

C16H17N3O4S — CID 7408936

IUPAC2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C16H17N3O4S/c20-16(17-11-13-2-1-9-24-13)14-10-12(19(21)22)3-4-15(14)18-5-7-23-8-6-18/h1-4,9-10H,5-8,11H2,(H,17,20)
InChIKeyGKTMOLCXTHNTAG-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.42
Rot. Bonds5

About 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide

2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 7408936) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID7408936
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C16H17N3O4S/c20-16(17-11-13-2-1-9-24-13)14-10-12(19(21)22)3-4-15(14)18-5-7-23-8-6-18/h1-4,9-10H,5-8,11H2,(H,17,20)
InChIKeyGKTMOLCXTHNTAG-UHFFFAOYSA-N
XLogP2.42
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)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

N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
Ethyl 5-ethyl-2-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 2876601
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 3934361
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3,5-dinitrobenzamide
CID 4158180
N-[(4-methylsulfanylphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 141753612
[4-(2-Fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 610572
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]-4-nitrobenzamide
CID 3416523
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]-3-nitrobenzamide
CID 4596240
N-(4-{[2-(4-morpholinyl)-5-nitrobenzoyl]amino}phenyl)-2-thiophenecarboxamide
CID 4982458
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 16272224
2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide
CID 3521406
5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 7409115

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide (CID 7408936) is 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GKTMOLCXTHNTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-16(17-11-13-2-1-9-24-13)14-10-12(19(21)22)3-4-15(14)18-5-7-23-8-6-18/h1-4,9-10H,5-8,11H2,(H,17,20).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide?
2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 347.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 7408936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).