N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide

C17H19N3O4S — CID 4596240

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O4S/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-10-25-16)19-6-8-24-9-7-19/h1-5,10-11,15H,6-9,12H2,(H,18,21)
InChIKeySRIDAMMTHJSLJR-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.46
Rot. Bonds6

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide (PubChem CID 4596240) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide
PubChem CID4596240
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O4S/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-10-25-16)19-6-8-24-9-7-19/h1-5,10-11,15H,6-9,12H2,(H,18,21)
InChIKeySRIDAMMTHJSLJR-UHFFFAOYSA-N
XLogP2.46
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.46
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'}

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Related Compounds

Morpholine, 4-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-
CID 3523252
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
[4-(4-Nitro-benzoyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 787265
N-[2-{3-nitrophenyl}-1-(1-piperidinylcarbonyl)vinyl]-2-thiophenecarboxamide
CID 1115889
CID 122196547
CID 122196547
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3,5-dinitrobenzamide
CID 4158180
N-[4-(4-morpholinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 653867
N-[5-(4-morpholinylcarbonyl)-2-(1-pyrrolidinyl)phenyl]-2-thiophenecarboxamide
CID 1252205
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-methyl-3-nitrobenzamide
CID 2397848
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]-4-nitrobenzamide
CID 3416523
N-(4-{[2-(4-morpholinyl)-5-nitrobenzoyl]amino}phenyl)-2-thiophenecarboxamide
CID 4982458

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide (CID 4596240) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
The InChIKey is SRIDAMMTHJSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-10-25-16)19-6-8-24-9-7-19/h1-5,10-11,15H,6-9,12H2,(H,18,21).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide is sourced from PubChem (CID 4596240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).