N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide

C20H18FN3O4S — CID 40803903

IUPACN'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(CNC(=O)C(=O)NCc1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C20H18FN3O4S/c21-14-7-5-13(6-8-14)18(16-4-2-10-29-16)24-17(25)12-23-20(27)19(26)22-11-15-3-1-9-28-15/h1-10,18H,11-12H2,(H,22,26)(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyBRVIMCUOXSMKHM-GOSISDBHSA-N
MW415.45 g/mol
LogP2.12
Rot. Bonds7

About N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide

N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 40803903) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID40803903
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC NameN'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(CNC(=O)C(=O)NCc1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C20H18FN3O4S/c21-14-7-5-13(6-8-14)18(16-4-2-10-29-16)24-17(25)12-23-20(27)19(26)22-11-15-3-1-9-28-15/h1-10,18H,11-12H2,(H,22,26)(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyBRVIMCUOXSMKHM-GOSISDBHSA-N
XLogP2.12
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.12
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-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 25398079
(2R)-1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38775077
2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18269944
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
N-(furan-2-ylmethyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867058
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
CID 9096380

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide (CID 40803903) is N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide is O=C(CNC(=O)C(=O)NCc1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is BRVIMCUOXSMKHM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c21-14-7-5-13(6-8-14)18(16-4-2-10-29-16)24-17(25)12-23-20(27)19(26)22-11-15-3-1-9-28-15/h1-10,18H,11-12H2,(H,22,26)(H,23,27)(H,24,25)/t18-/m1/s1.
What are the key properties of N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide?
N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 415.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 40803903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).