5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide

C10H12ClNO3S — CID 122564714

IUPAC5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO3S/c1-14-7-5-15-4-6(7)12-10(13)8-2-3-9(11)16-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyLWYYTBXDXJHSLB-BQBZGAKWSA-N
MW261.73 g/mol
LogP1.55
Rot. Bonds3

About 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide

5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide (PubChem CID 122564714) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
PubChem CID122564714
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO3S/c1-14-7-5-15-4-6(7)12-10(13)8-2-3-9(11)16-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyLWYYTBXDXJHSLB-BQBZGAKWSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
CID 90891307
butyl 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 140549092
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
tert-butyl [3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxypyrrolidin-1-yl] carbonate
CID 69042968
5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane
CID 143254138
5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide
CID 121377081
5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
CID 95788483
N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 131905397

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide (CID 122564714) is 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide is CO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is LWYYTBXDXJHSLB-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-14-7-5-15-4-6(7)12-10(13)8-2-3-9(11)16-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide?
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 122564714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).