N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide

C20H26N4O3S — CID 49119992

IUPACN-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)NCc1ccco1
InChIInChI=1S/C20H26N4O3S/c25-19(21-14-18-2-1-11-27-18)15-22-20(26)23-17-5-3-16(4-6-17)7-8-24-9-12-28-13-10-24/h1-6,11H,7-10,12-15H2,(H,21,25)(H2,22,23,26)
InChIKeyCDLDWLKMPVFMPR-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.31
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide

N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide (PubChem CID 49119992) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
PubChem CID49119992
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)NCc1ccco1
InChIInChI=1S/C20H26N4O3S/c25-19(21-14-18-2-1-11-27-18)15-22-20(26)23-17-5-3-16(4-6-17)7-8-24-9-12-28-13-10-24/h1-6,11H,7-10,12-15H2,(H,21,25)(H2,22,23,26)
InChIKeyCDLDWLKMPVFMPR-UHFFFAOYSA-N
XLogP2.31
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 49058408
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47783596
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
CID 29367404
2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60598074
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide (CID 49119992) is N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide is O=C(CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is CDLDWLKMPVFMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c25-19(21-14-18-2-1-11-27-18)15-22-20(26)23-17-5-3-16(4-6-17)7-8-24-9-12-28-13-10-24/h1-6,11H,7-10,12-15H2,(H,21,25)(H2,22,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide?
N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 49119992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).