N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide

C14H15N3O3S — CID 66385553

IUPACN-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H15N3O3S/c1-9-3-4-11(17(19)20)7-13(9)15-8-14-12(5-6-21-14)16-10(2)18/h3-7,15H,8H2,1-2H3,(H,16,18)
InChIKeyXHIICUJCGFTFDM-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.54
Rot. Bonds5

About N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385553) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66385553
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H15N3O3S/c1-9-3-4-11(17(19)20)7-13(9)15-8-14-12(5-6-21-14)16-10(2)18/h3-7,15H,8H2,1-2H3,(H,16,18)
InChIKeyXHIICUJCGFTFDM-UHFFFAOYSA-N
XLogP3.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
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-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
N-(2-nitrothiophen-3-yl)acetamide
CID 3044935
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
N-(3-methylbutan-2-yl)-2-(2-methyl-5-nitroanilino)acetamide
CID 47145443
2,6-difluoro-4-[(2-methyl-5-nitroanilino)methyl]phenol
CID 79882741
2,6-dibromo-4-[(2-methyl-5-nitroanilino)methyl]phenol
CID 107740595

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide (CID 66385553) is N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is XHIICUJCGFTFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-3-4-11(17(19)20)7-13(9)15-8-14-12(5-6-21-14)16-10(2)18/h3-7,15H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).