N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide

C15H17NO3S — CID 71781476

IUPACN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(O)(c1ccco1)C1CC1
InChIInChI=1S/C15H17NO3S/c17-14(9-12-3-2-8-20-12)16-10-15(18,11-5-6-11)13-4-1-7-19-13/h1-4,7-8,11,18H,5-6,9-10H2,(H,16,17)
InChIKeyZGDIISUZRGAHJZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.30
Rot. Bonds6

About N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide (PubChem CID 71781476) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
PubChem CID71781476
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(O)(c1ccco1)C1CC1
InChIInChI=1S/C15H17NO3S/c17-14(9-12-3-2-8-20-12)16-10-15(18,11-5-6-11)13-4-1-7-19-13/h1-4,7-8,11,18H,5-6,9-10H2,(H,16,17)
InChIKeyZGDIISUZRGAHJZ-UHFFFAOYSA-N
XLogP2.30
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide (CID 71781476) is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC(O)(c1ccco1)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZGDIISUZRGAHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-14(9-12-3-2-8-20-12)16-10-15(18,11-5-6-11)13-4-1-7-19-13/h1-4,7-8,11,18H,5-6,9-10H2,(H,16,17).
What are the key properties of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide has a molecular weight of 291.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71781476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).