N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide

C12H14ClNO2S — CID 110859499

IUPACN-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCSC2)cc1Cl
InChIInChI=1S/C12H14ClNO2S/c1-16-11-3-2-9(6-10(11)13)14-12(15)8-4-5-17-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyYYDPBFIILWCTRR-UHFFFAOYSA-N
MW271.77 g/mol
LogP3.04
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide

N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide (PubChem CID 110859499) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
PubChem CID110859499
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCSC2)cc1Cl
InChIInChI=1S/C12H14ClNO2S/c1-16-11-3-2-9(6-10(11)13)14-12(15)8-4-5-17-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyYYDPBFIILWCTRR-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
CID 103824576
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 18283208
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N-(3-chloro-4-methoxyphenyl)-5-oxothiomorpholine-3-carboxamide
CID 110695548
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide (CID 110859499) is N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide is COc1ccc(NC(=O)C2CCSC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide?
The InChIKey is YYDPBFIILWCTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c1-16-11-3-2-9(6-10(11)13)14-12(15)8-4-5-17-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide has a molecular weight of 271.77 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 110859499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).