2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide

C8H10ClNO3S — CID 134343363

IUPAC2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide
SMILESC[C@H](O)CONC(=O)c1ccsc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-5(11)4-13-10-8(12)6-2-3-14-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m0/s1
InChIKeyFKSRUBYVVYJOSD-YFKPBYRVSA-N
MW235.69 g/mol
LogP1.44
Rot. Bonds4

About 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide

2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide (PubChem CID 134343363) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide
PubChem CID134343363
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide
SMILESC[C@H](O)CONC(=O)c1ccsc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-5(11)4-13-10-8(12)6-2-3-14-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m0/s1
InChIKeyFKSRUBYVVYJOSD-YFKPBYRVSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367
3,4-difluoro-N-(2-hydroxypropoxy)benzamide
CID 87738823
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
(2R)-N-(2-chlorothiophen-3-yl)-2-hydroxypropanamide
CID 131154583
methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
CID 82316810
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide
CID 130948894
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
2-chloro-N-(2-methylpropoxy)-3-nitrobenzamide
CID 114009629
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 130698397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide (CID 134343363) is 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide is C[C@H](O)CONC(=O)c1ccsc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide?
The InChIKey is FKSRUBYVVYJOSD-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-5(11)4-13-10-8(12)6-2-3-14-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide?
2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide has a molecular weight of 235.69 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide is sourced from PubChem (CID 134343363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).