5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide

C11H16ClNO2S — CID 61247076

IUPAC5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-7(2)5-8(6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyIWIPKVXCVNNDSJ-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide

5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide (PubChem CID 61247076) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
PubChem CID61247076
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-7(2)5-8(6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyIWIPKVXCVNNDSJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
CID 122158938
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
CID 161296581
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373033
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372821
5-chloro-N-[(1S)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372866
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide (CID 61247076) is 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide is CC(C)CC(CO)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
The InChIKey is IWIPKVXCVNNDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-7(2)5-8(6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide has a molecular weight of 261.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61247076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).