2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide

C14H22N2O4S — CID 81200685

IUPAC2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-10(14(17)16-7-4-8-19-2)21(18)13-6-5-11(15)9-12(13)20-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyBYRDHVIHAQQNDL-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.93
Rot. Bonds8

About 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide

2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide (PubChem CID 81200685) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
PubChem CID81200685
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-10(14(17)16-7-4-8-19-2)21(18)13-6-5-11(15)9-12(13)20-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyBYRDHVIHAQQNDL-UHFFFAOYSA-N
XLogP0.93
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 63791051
2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81207237
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81207188
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide (CID 81200685) is 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)S(=O)c1ccc(N)cc1OC.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
The InChIKey is BYRDHVIHAQQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(14(17)16-7-4-8-19-2)21(18)13-6-5-11(15)9-12(13)20-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 81200685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).