5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide

C12H12ClNO3S — CID 162668225

IUPAC5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C1C=CC[C@H](CCNC(=O)c2ccc(Cl)s2)O1
InChIInChI=1S/C12H12ClNO3S/c13-10-5-4-9(18-10)12(16)14-7-6-8-2-1-3-11(15)17-8/h1,3-5,8H,2,6-7H2,(H,14,16)/t8-/m1/s1
InChIKeyYRDXYAUQOCVCIB-MRVPVSSYSA-N
MW285.75 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 162668225) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID162668225
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C1C=CC[C@H](CCNC(=O)c2ccc(Cl)s2)O1
InChIInChI=1S/C12H12ClNO3S/c13-10-5-4-9(18-10)12(16)14-7-6-8-2-1-3-11(15)17-8/h1,3-5,8H,2,6-7H2,(H,14,16)/t8-/m1/s1
InChIKeyYRDXYAUQOCVCIB-MRVPVSSYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
5-Chloro-N-(((S)-oxiran-2-yl)methyl)thiophene-2-carboxamide
CID 53235992
(5-Chlorothiophen-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 49720276
4-((1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl)oxy)-6-methyl-2H-pyran-2-one
CID 76151365
5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 17217261
3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2,2-difluoro-propionic acid ethyl ester
CID 69510780
5-chloro-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 45840278
5-chloro-N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide
CID 45840368
5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide
CID 11492236
5-chloro-N-(2-oxiranylmethyl)-2-thiophenecarboxamide
CID 21919798
N-allyl-5-chlorothiophenecarboxamide
CID 21919842
5-chloro-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 40233624

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide (CID 162668225) is 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide is O=C1C=CC[C@H](CCNC(=O)c2ccc(Cl)s2)O1.
What is the InChIKey of 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is YRDXYAUQOCVCIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-10-5-4-9(18-10)12(16)14-7-6-8-2-1-3-11(15)17-8/h1,3-5,8H,2,6-7H2,(H,14,16)/t8-/m1/s1.
What are the key properties of 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 162668225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).