N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide

C14H15NOS2 — CID 107025969

IUPACN-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccc(S)cc1
InChIInChI=1S/C14H15NOS2/c1-10(13-4-3-9-18-13)15(2)14(16)11-5-7-12(17)8-6-11/h3-10,17H,1-2H3
InChIKeyAIOUPSAETNVCKF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.87
Rot. Bonds3

About N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide

N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 107025969) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID107025969
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccc(S)cc1
InChIInChI=1S/C14H15NOS2/c1-10(13-4-3-9-18-13)15(2)14(16)11-5-7-12(17)8-6-11/h3-10,17H,1-2H3
InChIKeyAIOUPSAETNVCKF-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123
N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 97021387
N-methyl-4-piperidin-1-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 24552647
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
N-methyl-4-oxo-2-sulfanylidene-N-[(1S)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 52536131
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide (CID 107025969) is N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide is CC(c1cccs1)N(C)C(=O)c1ccc(S)cc1.
What is the InChIKey of N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is AIOUPSAETNVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-10(13-4-3-9-18-13)15(2)14(16)11-5-7-12(17)8-6-11/h3-10,17H,1-2H3.
What are the key properties of N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 107025969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).