2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide

C19H19N3O4S2 — CID 8800904

IUPAC2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H19N3O4S2/c1-26-18-7-6-14(22(24)25)10-17(18)20-19(23)13-21(11-15-4-2-8-27-15)12-16-5-3-9-28-16/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyHDTIEEAMODQPFB-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.37
Rot. Bonds9

About 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide

2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 8800904) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID8800904
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H19N3O4S2/c1-26-18-7-6-14(22(24)25)10-17(18)20-19(23)13-21(11-15-4-2-8-27-15)12-16-5-3-9-28-16/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyHDTIEEAMODQPFB-UHFFFAOYSA-N
XLogP4.37
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.37
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-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480038
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800903
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986
2-[bis(thiophen-2-ylmethyl)amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8800992
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8677941
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
CID 47535135
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960
2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide
CID 115285994
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905

Frequently Asked Questions

What is the IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide (CID 8800904) is 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is HDTIEEAMODQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-18-7-6-14(22(24)25)10-17(18)20-19(23)13-21(11-15-4-2-8-27-15)12-16-5-3-9-28-16/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide?
2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 8800904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).