N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide

C21H27N3O3S — CID 30606016

IUPACN-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-15(2)16-3-5-18(6-4-16)23-21(26)20(25)22-13-19(17-7-12-28-14-17)24-8-10-27-11-9-24/h3-7,12,14-15,19H,8-11,13H2,1-2H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyNVIRHESGVASBAX-LJQANCHMSA-N
MW401.53 g/mol
LogP3.00
Rot. Bonds6

About N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 30606016) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID30606016
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-15(2)16-3-5-18(6-4-16)23-21(26)20(25)22-13-19(17-7-12-28-14-17)24-8-10-27-11-9-24/h3-7,12,14-15,19H,8-11,13H2,1-2H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyNVIRHESGVASBAX-LJQANCHMSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
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)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932435
N'-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932466
N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932439
N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932512
N'-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]oxamide
CID 30606007
N'-cyclopropyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932494
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16932264
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605747
N'-cyclohexyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932444

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 30606016) is N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is NVIRHESGVASBAX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-15(2)16-3-5-18(6-4-16)23-21(26)20(25)22-13-19(17-7-12-28-14-17)24-8-10-27-11-9-24/h3-7,12,14-15,19H,8-11,13H2,1-2H3,(H,22,25)(H,23,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 401.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 30606016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).