N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide

C16H23NOS — CID 146419249

IUPACN-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide
SMILESCCN(C(=O)C1CCSCC1)c1cccc(C)c1C
InChIInChI=1S/C16H23NOS/c1-4-17(15-7-5-6-12(2)13(15)3)16(18)14-8-10-19-11-9-14/h5-7,14H,4,8-11H2,1-3H3
InChIKeyFTHRPRJAKYMWRR-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.80
Rot. Bonds3

About N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide

N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide (PubChem CID 146419249) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide
PubChem CID146419249
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide
SMILESCCN(C(=O)C1CCSCC1)c1cccc(C)c1C
InChIInChI=1S/C16H23NOS/c1-4-17(15-7-5-6-12(2)13(15)3)16(18)14-8-10-19-11-9-14/h5-7,14H,4,8-11H2,1-3H3
InChIKeyFTHRPRJAKYMWRR-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
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(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
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N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
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2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
(3R,4S)-N-(2,3-dimethylphenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120925158
N-[2,3-dimethyl-5-(4-phenoxyphenyl)phenyl]-N-ethylcyclopentanecarboxamide
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2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
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3-(N-ethyl-2,3-dimethylanilino)propanoic acid
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2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide (CID 146419249) is N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide is CCN(C(=O)C1CCSCC1)c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide?
The InChIKey is FTHRPRJAKYMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-4-17(15-7-5-6-12(2)13(15)3)16(18)14-8-10-19-11-9-14/h5-7,14H,4,8-11H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide?
N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide has a molecular weight of 277.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide is sourced from PubChem (CID 146419249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).