5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide

C8H10ClNO2S — CID 79030843

IUPAC5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(4-11)10-8(12)6-2-3-7(9)13-6/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyJJHFAZHSDVEKNY-RXMQYKEDSA-N
MW219.69 g/mol
LogP1.51
Rot. Bonds3

About 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide

5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide (PubChem CID 79030843) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
PubChem CID79030843
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(4-11)10-8(12)6-2-3-7(9)13-6/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyJJHFAZHSDVEKNY-RXMQYKEDSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
CID 63941006
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide (CID 79030843) is 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide is C[C@H](CO)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide?
The InChIKey is JJHFAZHSDVEKNY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-5(4-11)10-8(12)6-2-3-7(9)13-6/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide?
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide has a molecular weight of 219.69 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 79030843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).