[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate

C16H17NO3S — CID 175493762

IUPAC[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1C(=O)N(CC)c1cccs1
InChIInChI=1S/C16H17NO3S/c1-3-15(18)20-13-9-6-5-8-12(13)16(19)17(4-2)14-10-7-11-21-14/h5-11H,3-4H2,1-2H3
InChIKeyRLGWAORGKKCTNL-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.73
Rot. Bonds5

About [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate

[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate (PubChem CID 175493762) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate.

Molecular Properties

Compound Name[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate
PubChem CID175493762
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1C(=O)N(CC)c1cccs1
InChIInChI=1S/C16H17NO3S/c1-3-15(18)20-13-9-6-5-8-12(13)16(19)17(4-2)14-10-7-11-21-14/h5-11H,3-4H2,1-2H3
InChIKeyRLGWAORGKKCTNL-UHFFFAOYSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
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[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate
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[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate?
The IUPAC name of [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate (CID 175493762) is [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate.
What is the SMILES notation for [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate?
The canonical SMILES for [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate is CCC(=O)Oc1ccccc1C(=O)N(CC)c1cccs1.
What is the InChIKey of [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate?
The InChIKey is RLGWAORGKKCTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-15(18)20-13-9-6-5-8-12(13)16(19)17(4-2)14-10-7-11-21-14/h5-11H,3-4H2,1-2H3.
What are the key properties of [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate?
[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate has a molecular weight of 303.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate is sourced from PubChem (CID 175493762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).