N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide

C11H15NOS — CID 142914162

IUPACN-ethyl-N-methyl-4-(sulfanylmethyl)benzamide
SMILESCCN(C)C(=O)c1ccc(CS)cc1
InChIInChI=1S/C11H15NOS/c1-3-12(2)11(13)10-6-4-9(8-14)5-7-10/h4-7,14H,3,8H2,1-2H3
InChIKeyNYZKWCMKUZKJEO-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.21
Rot. Bonds3

About N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide

N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide (PubChem CID 142914162) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(sulfanylmethyl)benzamide
PubChem CID142914162
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-ethyl-N-methyl-4-(sulfanylmethyl)benzamide
SMILESCCN(C)C(=O)c1ccc(CS)cc1
InChIInChI=1S/C11H15NOS/c1-3-12(2)11(13)10-6-4-9(8-14)5-7-10/h4-7,14H,3,8H2,1-2H3
InChIKeyNYZKWCMKUZKJEO-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
4-azido-N-ethyl-N-methylbenzamide
CID 150089874
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N,3-diethyl-N-methylbenzamide
CID 89250993
4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide
CID 144998483
N-ethyl-N-methyl-4-thiophen-2-ylbenzamide
CID 141207941
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
4-formyl-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530389
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
4-butyl-N,N-diethylbenzamide
CID 60675001
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide?
The IUPAC name of N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide (CID 142914162) is N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide.
What is the SMILES notation for N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide?
The canonical SMILES for N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide is CCN(C)C(=O)c1ccc(CS)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide?
The InChIKey is NYZKWCMKUZKJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-12(2)11(13)10-6-4-9(8-14)5-7-10/h4-7,14H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide?
N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide has a molecular weight of 209.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide is sourced from PubChem (CID 142914162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).