5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide

C16H18ClNO2S — CID 46632667

IUPAC5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
SMILESCC(OCCCNC(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-12(13-6-3-2-4-7-13)20-11-5-10-18-16(19)14-8-9-15(17)21-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)
InChIKeyCDOXOCUZZTZZFN-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.30
Rot. Bonds7

About 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide

5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide (PubChem CID 46632667) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
PubChem CID46632667
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
SMILESCC(OCCCNC(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-12(13-6-3-2-4-7-13)20-11-5-10-18-16(19)14-8-9-15(17)21-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)
InChIKeyCDOXOCUZZTZZFN-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
3-chloro-6-fluoro-N-[3-(1-phenylethoxy)propyl]-1-benzothiophene-2-carboxamide
CID 24678084
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
5-chloro-2-methylsulfanyl-N-[3-(1-phenylethoxy)propyl]pyrimidine-4-carboxamide
CID 24678152
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide (CID 46632667) is 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide is CC(OCCCNC(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide?
The InChIKey is CDOXOCUZZTZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12(13-6-3-2-4-7-13)20-11-5-10-18-16(19)14-8-9-15(17)21-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide?
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 46632667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).