2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide

C14H15N3O3S — CID 8965861

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1
InChIInChI=1S/C14H15N3O3S/c1-16(9-11-5-4-8-21-11)10-14(18)15-12-6-2-3-7-13(12)17(19)20/h2-8H,9-10H2,1H3,(H,15,18)
InChIKeyQWAJTYSEQBYEGV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.73
Rot. Bonds6

About 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide

2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide (PubChem CID 8965861) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
PubChem CID8965861
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1
InChIInChI=1S/C14H15N3O3S/c1-16(9-11-5-4-8-21-11)10-14(18)15-12-6-2-3-7-13(12)17(19)20/h2-8H,9-10H2,1H3,(H,15,18)
InChIKeyQWAJTYSEQBYEGV-UHFFFAOYSA-N
XLogP2.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677413
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
2-[bis(thiophen-2-ylmethyl)amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8800992
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47060051
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide (CID 8965861) is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide is CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide?
The InChIKey is QWAJTYSEQBYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16(9-11-5-4-8-21-11)10-14(18)15-12-6-2-3-7-13(12)17(19)20/h2-8H,9-10H2,1H3,(H,15,18).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide?
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 8965861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).