N-(2-chlorophenyl)thiane-4-carboxamide

C12H14ClNOS — CID 110858755

IUPACN-(2-chlorophenyl)thiane-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCSCC1
InChIInChI=1S/C12H14ClNOS/c13-10-3-1-2-4-11(10)14-12(15)9-5-7-16-8-6-9/h1-4,9H,5-8H2,(H,14,15)
InChIKeyCRIOFVGWZXVWLL-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.42
Rot. Bonds2

About N-(2-chlorophenyl)thiane-4-carboxamide

N-(2-chlorophenyl)thiane-4-carboxamide (PubChem CID 110858755) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)thiane-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)thiane-4-carboxamide
PubChem CID110858755
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC NameN-(2-chlorophenyl)thiane-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCSCC1
InChIInChI=1S/C12H14ClNOS/c13-10-3-1-2-4-11(10)14-12(15)9-5-7-16-8-6-9/h1-4,9H,5-8H2,(H,14,15)
InChIKeyCRIOFVGWZXVWLL-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)thiane-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)thiane-4-carboxamide (CID 110858755) is N-(2-chlorophenyl)thiane-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)thiane-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)thiane-4-carboxamide is O=C(Nc1ccccc1Cl)C1CCSCC1.
What is the InChIKey of N-(2-chlorophenyl)thiane-4-carboxamide?
The InChIKey is CRIOFVGWZXVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-10-3-1-2-4-11(10)14-12(15)9-5-7-16-8-6-9/h1-4,9H,5-8H2,(H,14,15).
What are the key properties of N-(2-chlorophenyl)thiane-4-carboxamide?
N-(2-chlorophenyl)thiane-4-carboxamide has a molecular weight of 255.77 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)thiane-4-carboxamide is sourced from PubChem (CID 110858755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).