N-[4-(thiophen-2-ylmethoxy)phenyl]formamide

C12H11NO2S — CID 168653382

IUPACN-[4-(thiophen-2-ylmethoxy)phenyl]formamide
SMILESO=CNc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C12H11NO2S/c14-9-13-10-3-5-11(6-4-10)15-8-12-2-1-7-16-12/h1-7,9H,8H2,(H,13,14)
InChIKeyUUWFMAAPIXUWKF-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.90
Rot. Bonds5

About N-[4-(thiophen-2-ylmethoxy)phenyl]formamide

N-[4-(thiophen-2-ylmethoxy)phenyl]formamide (PubChem CID 168653382) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[4-(thiophen-2-ylmethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(thiophen-2-ylmethoxy)phenyl]formamide
PubChem CID168653382
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-[4-(thiophen-2-ylmethoxy)phenyl]formamide
SMILESO=CNc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C12H11NO2S/c14-9-13-10-3-5-11(6-4-10)15-8-12-2-1-7-16-12/h1-7,9H,8H2,(H,13,14)
InChIKeyUUWFMAAPIXUWKF-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione
CID 168559299
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N-(4-prop-2-ynoxyphenyl)formamide
CID 130718440
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophen-2-ylmethoxy)phenyl]formamide?
The IUPAC name of N-[4-(thiophen-2-ylmethoxy)phenyl]formamide (CID 168653382) is N-[4-(thiophen-2-ylmethoxy)phenyl]formamide.
What is the SMILES notation for N-[4-(thiophen-2-ylmethoxy)phenyl]formamide?
The canonical SMILES for N-[4-(thiophen-2-ylmethoxy)phenyl]formamide is O=CNc1ccc(OCc2cccs2)cc1.
What is the InChIKey of N-[4-(thiophen-2-ylmethoxy)phenyl]formamide?
The InChIKey is UUWFMAAPIXUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-9-13-10-3-5-11(6-4-10)15-8-12-2-1-7-16-12/h1-7,9H,8H2,(H,13,14).
What are the key properties of N-[4-(thiophen-2-ylmethoxy)phenyl]formamide?
N-[4-(thiophen-2-ylmethoxy)phenyl]formamide has a molecular weight of 233.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiophen-2-ylmethoxy)phenyl]formamide is sourced from PubChem (CID 168653382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).