2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide

C14H14N2O5S — CID 112781013

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccco1
InChIInChI=1S/C14H14N2O5S/c1-20-13-7-10(16(18)19)4-5-12(13)15-14(17)9-22-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyRPRSMAJCDXTYLJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.07
Rot. Bonds7

About 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 112781013) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID112781013
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccco1
InChIInChI=1S/C14H14N2O5S/c1-20-13-7-10(16(18)19)4-5-12(13)15-14(17)9-22-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyRPRSMAJCDXTYLJ-UHFFFAOYSA-N
XLogP3.07
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.07
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

2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 112781003
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
2-(furan-2-ylmethylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid
CID 18858543
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2941083
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-[[4-(furan-2-ylmethyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 42930932
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
N-(2-methoxy-4-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975221
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841604

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 112781013) is 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is RPRSMAJCDXTYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-20-13-7-10(16(18)19)4-5-12(13)15-14(17)9-22-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 322.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 112781013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).