N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide

C14H15NOS2 — CID 107032569

IUPACN-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
SMILESCCc1ccsc1CNC(=O)c1cccc(S)c1
InChIInChI=1S/C14H15NOS2/c1-2-10-6-7-18-13(10)9-15-14(16)11-4-3-5-12(17)8-11/h3-8,17H,2,9H2,1H3,(H,15,16)
InChIKeyCOFROGWDBWEIFA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.53
Rot. Bonds4

About N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide

N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide (PubChem CID 107032569) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
PubChem CID107032569
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
SMILESCCc1ccsc1CNC(=O)c1cccc(S)c1
InChIInChI=1S/C14H15NOS2/c1-2-10-6-7-18-13(10)9-15-14(16)11-4-3-5-12(17)8-11/h3-8,17H,2,9H2,1H3,(H,15,16)
InChIKeyCOFROGWDBWEIFA-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
CID 81092223
N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
CID 107028284
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
N-[(3-ethylthiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103800416
2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
CID 81420545
N-decyl-3-sulfanylbenzamide
CID 107032454
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107034454
3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369810
N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide
CID 78985877
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide (CID 107032569) is N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide is CCc1ccsc1CNC(=O)c1cccc(S)c1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is COFROGWDBWEIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-2-10-6-7-18-13(10)9-15-14(16)11-4-3-5-12(17)8-11/h3-8,17H,2,9H2,1H3,(H,15,16).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide?
N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107032569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).