N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide

C16H25N3O2S — CID 30834974

IUPACN'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
SMILESCN(C)[C@H](CNC(=O)C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C16H25N3O2S/c1-19(2)13(14-9-6-10-22-14)11-17-15(20)16(21)18-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,17,20)(H,18,21)/t13-/m1/s1
InChIKeyVKWQRBGUVSIZFQ-CYBMUJFWSA-N
MW323.46 g/mol
LogP1.92
Rot. Bonds5

About N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide

N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide (PubChem CID 30834974) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
PubChem CID30834974
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
SMILESCN(C)[C@H](CNC(=O)C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C16H25N3O2S/c1-19(2)13(14-9-6-10-22-14)11-17-15(20)16(21)18-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,17,20)(H,18,21)/t13-/m1/s1
InChIKeyVKWQRBGUVSIZFQ-CYBMUJFWSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
N'-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584000
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
N'-cyclopentyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 7268492
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 18589155
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
CID 92693458
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide (CID 30834974) is N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide is CN(C)[C@H](CNC(=O)C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
The InChIKey is VKWQRBGUVSIZFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-19(2)13(14-9-6-10-22-14)11-17-15(20)16(21)18-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,17,20)(H,18,21)/t13-/m1/s1.
What are the key properties of N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide has a molecular weight of 323.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 30834974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).