N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide

C17H20ClN3O2S — CID 16932117

IUPACN'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C17H20ClN3O2S/c1-11-13(18)5-4-6-14(11)20-17(23)16(22)19-9-15(21(2)3)12-7-8-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKKUOQKNJPNHWRI-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.07
Rot. Bonds5

About N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide (PubChem CID 16932117) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
PubChem CID16932117
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C17H20ClN3O2S/c1-11-13(18)5-4-6-14(11)20-17(23)16(22)19-9-15(21(2)3)12-7-8-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKKUOQKNJPNHWRI-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.07
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-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46593265
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide (CID 16932117) is N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
The InChIKey is KKUOQKNJPNHWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11-13(18)5-4-6-14(11)20-17(23)16(22)19-9-15(21(2)3)12-7-8-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide has a molecular weight of 365.89 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 16932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).