N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide

C16H18ClNO2S — CID 42891269

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)Oc1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-3-18(11-14-9-10-15(17)21-14)16(19)12(2)20-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3
InChIKeyWQVRZUPJJHJLRB-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.22
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide (PubChem CID 42891269) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
PubChem CID42891269
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)Oc1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-3-18(11-14-9-10-15(17)21-14)16(19)12(2)20-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3
InChIKeyWQVRZUPJJHJLRB-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
CID 55361168
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxypropanamide
CID 8874772

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide (CID 42891269) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide is CCN(Cc1ccc(Cl)s1)C(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide?
The InChIKey is WQVRZUPJJHJLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-18(11-14-9-10-15(17)21-14)16(19)12(2)20-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide has a molecular weight of 323.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide is sourced from PubChem (CID 42891269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).