N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide

C14H16N2O4S — CID 97106355

IUPACN-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCC[C@@H](O)c1ccoc1)C(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O4S/c17-12(10-4-6-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-7-21-11/h1-2,4,6-7,9,12,17H,3,5,8H2,(H,15,18)(H,16,19)/t12-/m1/s1
InChIKeyMYPAXJDOAXBAHH-GFCCVEGCSA-N
MW308.36 g/mol
LogP1.20
Rot. Bonds6

About N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 97106355) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID97106355
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCC[C@@H](O)c1ccoc1)C(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O4S/c17-12(10-4-6-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-7-21-11/h1-2,4,6-7,9,12,17H,3,5,8H2,(H,15,18)(H,16,19)/t12-/m1/s1
InChIKeyMYPAXJDOAXBAHH-GFCCVEGCSA-N
XLogP1.20
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.20
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'-[2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 71798386
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 97106399
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97042822
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 97106355) is N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCC[C@@H](O)c1ccoc1)C(=O)NCc1cccs1.
What is the InChIKey of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is MYPAXJDOAXBAHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-12(10-4-6-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-7-21-11/h1-2,4,6-7,9,12,17H,3,5,8H2,(H,15,18)(H,16,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 308.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 97106355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).