N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide

C14H21NO3S — CID 107026123

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(S)cc1
InChIInChI=1S/C14H21NO3S/c1-17-10-3-8-15(9-11-18-2)14(16)12-4-6-13(19)7-5-12/h4-7,19H,3,8-11H2,1-2H3
InChIKeyLTNHNGBWBDXUHS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.10
Rot. Bonds8

About N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide

N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide (PubChem CID 107026123) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
PubChem CID107026123
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(S)cc1
InChIInChI=1S/C14H21NO3S/c1-17-10-3-8-15(9-11-18-2)14(16)12-4-6-13(19)7-5-12/h4-7,19H,3,8-11H2,1-2H3
InChIKeyLTNHNGBWBDXUHS-UHFFFAOYSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
4-isocyano-N,N-bis(2-methoxyethyl)benzamide
CID 140732662
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998591
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide (CID 107026123) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide is COCCCN(CCOC)C(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide?
The InChIKey is LTNHNGBWBDXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-17-10-3-8-15(9-11-18-2)14(16)12-4-6-13(19)7-5-12/h4-7,19H,3,8-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide has a molecular weight of 283.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107026123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).