N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide

C17H20ClNO2S — CID 121180109

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC(OC)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C17H20ClNO2S/c1-3-13(12-7-5-4-6-8-12)17(20)19-11-14(21-2)15-9-10-16(18)22-15/h4-10,13-14H,3,11H2,1-2H3,(H,19,20)
InChIKeyWQVNUCMARFEZSE-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.40
Rot. Bonds7

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

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide (PubChem CID 121180109) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
PubChem CID121180109
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC(OC)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C17H20ClNO2S/c1-3-13(12-7-5-4-6-8-12)17(20)19-11-14(21-2)15-9-10-16(18)22-15/h4-10,13-14H,3,11H2,1-2H3,(H,19,20)
InChIKeyWQVNUCMARFEZSE-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569
(E)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-thiophen-2-ylprop-2-enamide
CID 100727589
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121180159
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide (CID 121180109) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide is CCC(C(=O)NCC(OC)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
The InChIKey is WQVNUCMARFEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-3-13(12-7-5-4-6-8-12)17(20)19-11-14(21-2)15-9-10-16(18)22-15/h4-10,13-14H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide has a molecular weight of 337.87 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide is sourced from PubChem (CID 121180109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).