N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide

C15H15Cl2NO2S — CID 110004644

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESO=C(CCc1ccc(Cl)s1)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c16-11-3-1-10(2-4-11)13(9-19)18-15(20)8-6-12-5-7-14(17)21-12/h1-5,7,13,19H,6,8-9H2,(H,18,20)
InChIKeyYAGBXHMCKKBSFU-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 110004644) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID110004644
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESO=C(CCc1ccc(Cl)s1)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c16-11-3-1-10(2-4-11)13(9-19)18-15(20)8-6-12-5-7-14(17)21-12/h1-5,7,13,19H,6,8-9H2,(H,18,20)
InChIKeyYAGBXHMCKKBSFU-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
CID 110004275
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944560
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110004207
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 110004583
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
4-[3-(5-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546600
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 60508108
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide (CID 110004644) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide is O=C(CCc1ccc(Cl)s1)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is YAGBXHMCKKBSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c16-11-3-1-10(2-4-11)13(9-19)18-15(20)8-6-12-5-7-14(17)21-12/h1-5,7,13,19H,6,8-9H2,(H,18,20).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 344.26 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 110004644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).