N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide

C11H16ClNO2S — CID 115187291

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
SMILESCC(C)C(CO)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-7(2)9(6-14)11(15)13-5-8-3-4-10(12)16-8/h3-4,7,9,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyZFYWPPGQONHPEK-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.28
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide (PubChem CID 115187291) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
PubChem CID115187291
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
SMILESCC(C)C(CO)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-7(2)9(6-14)11(15)13-5-8-3-4-10(12)16-8/h3-4,7,9,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyZFYWPPGQONHPEK-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
N-[1-[(5-chlorothiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55587983
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
CID 46596451
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
CID 95599579

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide (CID 115187291) is N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide is CC(C)C(CO)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide?
The InChIKey is ZFYWPPGQONHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-7(2)9(6-14)11(15)13-5-8-3-4-10(12)16-8/h3-4,7,9,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide has a molecular weight of 261.77 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide is sourced from PubChem (CID 115187291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).