N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide

C17H18N2O4S — CID 95984909

IUPACN'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C17H18N2O4S/c20-15(18-10-12-4-3-9-24-12)16(21)19-11-17(22)7-8-23-14-6-2-1-5-13(14)17/h1-6,9,22H,7-8,10-11H2,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyPYMPLMCZDGWGSG-KRWDZBQOSA-N
MW346.41 g/mol
LogP1.15
Rot. Bonds4

About N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 95984909) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID95984909
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C17H18N2O4S/c20-15(18-10-12-4-3-9-24-12)16(21)19-11-17(22)7-8-23-14-6-2-1-5-13(14)17/h1-6,9,22H,7-8,10-11H2,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyPYMPLMCZDGWGSG-KRWDZBQOSA-N
XLogP1.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.15
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-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
N'-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042696
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398

Frequently Asked Questions

What is the IUPAC name of N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide (CID 95984909) is N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCOc2ccccc21.
What is the InChIKey of N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is PYMPLMCZDGWGSG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15(18-10-12-4-3-9-24-12)16(21)19-11-17(22)7-8-23-14-6-2-1-5-13(14)17/h1-6,9,22H,7-8,10-11H2,(H,18,20)(H,19,21)/t17-/m0/s1.
What are the key properties of N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 346.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 95984909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).