N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide

C17H19NO2S — CID 899095

IUPACN-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cccs1
InChIInChI=1S/C17H19NO2S/c19-16(15-7-4-12-21-15)18-13-17(8-10-20-11-9-17)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,19)
InChIKeyZYEKNHITTHNGEQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide

N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 899095) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide
PubChem CID899095
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cccs1
InChIInChI=1S/C17H19NO2S/c19-16(15-7-4-12-21-15)18-13-17(8-10-20-11-9-17)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,19)
InChIKeyZYEKNHITTHNGEQ-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
CID 3739463
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
CID 4012567
Ethyl 3-(4-methylphenyl)-3-(2-thienylcarbonylamino)propanoate
CID 4989028
N-(3,3-diphenylpropyl)thiophene-2-carboxamide
CID 673384
N-(3-phenylpropyl)thiophene-2-carboxamide
CID 2169712
N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
CID 2530538
4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 5154807
N-(4-fluorobenzyl)-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7243529
Ethyl 1-[(5-acetyl-3-thienyl)methyl]-4-benzyl-4-piperidinecarboxylate
CID 16190552
(3-Methylol-3-phenethyl-piperidino)-(2-thienyl)methanone
CID 24816681
N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889013

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide (CID 899095) is N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)c1cccs1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZYEKNHITTHNGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-16(15-7-4-12-21-15)18-13-17(8-10-20-11-9-17)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,19).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide?
N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 899095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).