N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide

C17H18ClNO2S — CID 7243516

IUPACN-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H18ClNO2S/c18-14-5-3-13(4-6-14)12-19-16(20)17(7-9-21-10-8-17)15-2-1-11-22-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyPKZRSOVTBHLOCM-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide

N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243516) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243516
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H18ClNO2S/c18-14-5-3-13(4-6-14)12-19-16(20)17(7-9-21-10-8-17)15-2-1-11-22-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyPKZRSOVTBHLOCM-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[(thien-2-ylacetyl)amino]acetamide
CID 4387070
N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7243529
N-(4-chlorobenzyl)-2-(thiophen-2-yl)acetamide
CID 807688
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 2365512
N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide
CID 899095
N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7243515
N-(1-phenylethyl)-4-(thiophen-2-yl)oxane-4-carboxamide
CID 12005899
Ethyl 3-(2-chlorophenyl)-3-[(thien-2-ylacetyl)amino]propanoate
CID 5036937
N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
CID 7243574
N-(4-chlorophenethyl)-4-(2-thienyl)tetrahydro-2H-pyran-4-carboxamide
CID 7243532
2-fluoro-N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 30943600
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 42435753

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide (CID 7243516) is N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is PKZRSOVTBHLOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-14-5-3-13(4-6-14)12-19-16(20)17(7-9-21-10-8-17)15-2-1-11-22-15/h1-6,11H,7-10,12H2,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).