N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

C16H18ClNO2S — CID 59820011

IUPACN-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2cc(Cl)cs2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-20-14-5-2-12(3-6-14)4-7-16(19)18-9-8-15-10-13(17)11-21-15/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,18,19)
InChIKeyRHFYTWYUFPXTFT-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 59820011) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID59820011
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2cc(Cl)cs2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-20-14-5-2-12(3-6-14)4-7-16(19)18-9-8-15-10-13(17)11-21-15/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,18,19)
InChIKeyRHFYTWYUFPXTFT-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
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2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
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N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 59820011) is N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCc2cc(Cl)cs2)cc1.
What is the InChIKey of N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RHFYTWYUFPXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-20-14-5-2-12(3-6-14)4-7-16(19)18-9-8-15-10-13(17)11-21-15/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 323.85 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorothiophen-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 59820011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).