N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide

C15H21NO2S — CID 107026569

IUPACN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
SMILESCOCCN(C(=O)c1ccc(S)cc1)C(C)C1CC1
InChIInChI=1S/C15H21NO2S/c1-11(12-3-4-12)16(9-10-18-2)15(17)13-5-7-14(19)8-6-13/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyICXSEFPQUWYFCK-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.86
Rot. Bonds6

About N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide

N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide (PubChem CID 107026569) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
PubChem CID107026569
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
SMILESCOCCN(C(=O)c1ccc(S)cc1)C(C)C1CC1
InChIInChI=1S/C15H21NO2S/c1-11(12-3-4-12)16(9-10-18-2)15(17)13-5-7-14(19)8-6-13/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyICXSEFPQUWYFCK-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide (CID 107026569) is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide is COCCN(C(=O)c1ccc(S)cc1)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide?
The InChIKey is ICXSEFPQUWYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(12-3-4-12)16(9-10-18-2)15(17)13-5-7-14(19)8-6-13/h5-8,11-12,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide?
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide has a molecular weight of 279.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107026569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).