N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

C17H18ClNO3S — CID 7243556

IUPACN-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1Cl
InChIInChI=1S/C17H18ClNO3S/c1-21-14-5-4-12(11-13(14)18)19-16(20)17(6-8-22-9-7-17)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyWKHBTULWVKDXTR-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.10
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243556) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243556
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1Cl
InChIInChI=1S/C17H18ClNO3S/c1-21-14-5-4-12(11-13(14)18)19-16(20)17(6-8-22-9-7-17)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyWKHBTULWVKDXTR-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-thiophen-2-ylacetamide
CID 49766544
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]prop-2-ynamide
CID 162672277
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 44535683
N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2388217
N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7217404
N-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7217414
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]but-2-ynamide
CID 166630408
N-(4-Ethoxyphenyl)-4-(thiophen-2-YL)oxane-4-carboxamide
CID 7243533
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799214
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 26901534
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]prop-2-enamide
CID 162661978
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]but-2-ynamide
CID 162665286

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243556) is N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is COc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is WKHBTULWVKDXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-21-14-5-4-12(11-13(14)18)19-16(20)17(6-8-22-9-7-17)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).