(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide

C16H18ClNO3S — CID 38322913

IUPAC(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H18ClNO3S/c1-10(14-8-9-15(17)22-14)18-16(19)11(2)21-13-6-4-12(20-3)5-7-13/h4-11H,1-3H3,(H,18,19)/t10-,11+/m1/s1
InChIKeyHDIWHJQGTUXHPT-MNOVXSKESA-N
MW339.84 g/mol
LogP4.05
Rot. Bonds6

About (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide

(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 38322913) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID38322913
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H18ClNO3S/c1-10(14-8-9-15(17)22-14)18-16(19)11(2)21-13-6-4-12(20-3)5-7-13/h4-11H,1-3H3,(H,18,19)/t10-,11+/m1/s1
InChIKeyHDIWHJQGTUXHPT-MNOVXSKESA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
CID 94187653
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
N-(1-cyclopropylethyl)-2-(4-methoxyphenoxy)propanamide
CID 47140492
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide (CID 38322913) is (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is HDIWHJQGTUXHPT-MNOVXSKESA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10(14-8-9-15(17)22-14)18-16(19)11(2)21-13-6-4-12(20-3)5-7-13/h4-11H,1-3H3,(H,18,19)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 339.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 38322913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).