N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide

C16H20N2O4S — CID 121133292

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)NCc2ccsc2)c(C)o1
InChIInChI=1S/C16H20N2O4S/c1-10-7-13(11(2)22-10)14(19)3-5-17-15(20)16(21)18-8-12-4-6-23-9-12/h4,6-7,9,14,19H,3,5,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYWZCQTNDMDBSQS-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide (PubChem CID 121133292) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide
PubChem CID121133292
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)NCc2ccsc2)c(C)o1
InChIInChI=1S/C16H20N2O4S/c1-10-7-13(11(2)22-10)14(19)3-5-17-15(20)16(21)18-8-12-4-6-23-9-12/h4,6-7,9,14,19H,3,5,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYWZCQTNDMDBSQS-UHFFFAOYSA-N
XLogP1.81
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272
1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97042999
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133274
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97042989
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97042843
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide
CID 71804520
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 124759968

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide (CID 121133292) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide is Cc1cc(C(O)CCNC(=O)C(=O)NCc2ccsc2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide?
The InChIKey is YWZCQTNDMDBSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-7-13(11(2)22-10)14(19)3-5-17-15(20)16(21)18-8-12-4-6-23-9-12/h4,6-7,9,14,19H,3,5,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide has a molecular weight of 336.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide is sourced from PubChem (CID 121133292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).