N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide

C12H17ClN2O3S — CID 121180303

IUPACN'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC(OC)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O3S/c1-3-6-14-11(16)12(17)15-7-8(18-2)9-4-5-10(13)19-9/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKRFDNLALQMAICI-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.73
Rot. Bonds6

About N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide

N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide (PubChem CID 121180303) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
PubChem CID121180303
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC(OC)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O3S/c1-3-6-14-11(16)12(17)15-7-8(18-2)9-4-5-10(13)19-9/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKRFDNLALQMAICI-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.73
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

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 121180341
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 121180109
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide?
The IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide (CID 121180303) is N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide.
What is the SMILES notation for N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide?
The canonical SMILES for N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide is CCCNC(=O)C(=O)NCC(OC)c1ccc(Cl)s1.
What is the InChIKey of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide?
The InChIKey is KRFDNLALQMAICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-6-14-11(16)12(17)15-7-8(18-2)9-4-5-10(13)19-9/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide?
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide has a molecular weight of 304.80 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide is sourced from PubChem (CID 121180303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).