N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide

C15H16ClNO2S — CID 110004275

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c16-13-4-2-12(3-5-13)14(9-18)17-15(19)6-1-11-7-8-20-10-11/h2-5,7-8,10,14,18H,1,6,9H2,(H,17,19)
InChIKeyZCBQGRXDEPBNIR-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide (PubChem CID 110004275) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
PubChem CID110004275
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c16-13-4-2-12(3-5-13)14(9-18)17-15(19)6-1-11-7-8-20-10-11/h2-5,7-8,10,14,18H,1,6,9H2,(H,17,19)
InChIKeyZCBQGRXDEPBNIR-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 110004644
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
1-(2-hydroxy-1-phenylethyl)-3-(2-thiophen-3-ylethyl)urea
CID 110895806
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 110004583

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide (CID 110004275) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is ZCBQGRXDEPBNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-13-4-2-12(3-5-13)14(9-18)17-15(19)6-1-11-7-8-20-10-11/h2-5,7-8,10,14,18H,1,6,9H2,(H,17,19).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 309.82 g/mol, XLogP of 3.18, 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-thiophen-3-ylpropanamide is sourced from PubChem (CID 110004275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).