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

C11H16ClNO2S — CID 121180066

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
SMILESCCCC(=O)NCC(OC)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-3-4-11(14)13-7-8(15-2)9-5-6-10(12)16-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyROCNHARALMCUSK-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.01
Rot. Bonds6

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

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide (PubChem CID 121180066) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
PubChem CID121180066
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
SMILESCCCC(=O)NCC(OC)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-3-4-11(14)13-7-8(15-2)9-5-6-10(12)16-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyROCNHARALMCUSK-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121180159
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
CID 121180122
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 121180109
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
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
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide (CID 121180066) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide is CCCC(=O)NCC(OC)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide?
The InChIKey is ROCNHARALMCUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-4-11(14)13-7-8(15-2)9-5-6-10(12)16-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide has a molecular weight of 261.77 g/mol, XLogP of 3.01, 6 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]butanamide is sourced from PubChem (CID 121180066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).