4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide

C17H21NO4S — CID 111482727

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NCC(C)(O)c2ccco2)c(C)s1
InChIInChI=1S/C17H21NO4S/c1-11-9-13(12(2)23-11)14(19)6-7-16(20)18-10-17(3,21)15-5-4-8-22-15/h4-5,8-9,21H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyMYNQAFQPZDMLSY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.94
Rot. Bonds7

About 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide (PubChem CID 111482727) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
PubChem CID111482727
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NCC(C)(O)c2ccco2)c(C)s1
InChIInChI=1S/C17H21NO4S/c1-11-9-13(12(2)23-11)14(19)6-7-16(20)18-10-17(3,21)15-5-4-8-22-15/h4-5,8-9,21H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyMYNQAFQPZDMLSY-UHFFFAOYSA-N
XLogP2.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
CID 111482708
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 111473250
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111482785

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide (CID 111482727) is 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)NCC(C)(O)c2ccco2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
The InChIKey is MYNQAFQPZDMLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11-9-13(12(2)23-11)14(19)6-7-16(20)18-10-17(3,21)15-5-4-8-22-15/h4-5,8-9,21H,6-7,10H2,1-3H3,(H,18,20).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide has a molecular weight of 335.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide is sourced from PubChem (CID 111482727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).