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

C19H24N4O4S — CID 24978892

IUPAC4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide
SMILESCN(C)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H24N4O4S/c1-21(2)15-6-5-14(12-16(15)23(25)26)19(24)20-13-17(18-4-3-11-28-18)22-7-9-27-10-8-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,20,24)
InChIKeyZGEDVCSKKGGAJN-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.53
Rot. Bonds7

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

4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide (PubChem CID 24978892) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide
PubChem CID24978892
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide
SMILESCN(C)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H24N4O4S/c1-21(2)15-6-5-14(12-16(15)23(25)26)19(24)20-13-17(18-4-3-11-28-18)22-7-9-27-10-8-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,20,24)
InChIKeyZGEDVCSKKGGAJN-UHFFFAOYSA-N
XLogP2.53
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2960102
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
3-Nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide
CID 3932658
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
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-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-thiophenecarboxamide
CID 1081262
N-[5-(4-morpholinylcarbonyl)-2-(1-pyrrolidinyl)phenyl]-2-thiophenecarboxamide
CID 1252205
N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 2946238
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-4-nitrobenzamide
CID 3141589
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-nitro-4-(4-morpholinyl)benzamide
CID 3255937

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
The IUPAC name of 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide (CID 24978892) is 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide is CN(C)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
The InChIKey is ZGEDVCSKKGGAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-21(2)15-6-5-14(12-16(15)23(25)26)19(24)20-13-17(18-4-3-11-28-18)22-7-9-27-10-8-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,20,24).
What are the key properties of 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide?
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide has a molecular weight of 404.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide is sourced from PubChem (CID 24978892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).