N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C17H22N2O6S2 — CID 55911805

IUPACN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOCCOc1cc(NC(=O)C(C)NS(=O)(=O)c2cccs2)ccc1OC
InChIInChI=1S/C17H22N2O6S2/c1-12(19-27(21,22)16-5-4-10-26-16)17(20)18-13-6-7-14(24-3)15(11-13)25-9-8-23-2/h4-7,10-12,19H,8-9H2,1-3H3,(H,18,20)
InChIKeySGBMDZPYOXJWBO-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.09
Rot. Bonds10

About N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55911805) has the molecular formula C17H22N2O6S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55911805
Molecular FormulaC17H22N2O6S2
Molecular Weight414.51 g/mol
Exact Mass414.09
IUPAC NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOCCOc1cc(NC(=O)C(C)NS(=O)(=O)c2cccs2)ccc1OC
InChIInChI=1S/C17H22N2O6S2/c1-12(19-27(21,22)16-5-4-10-26-16)17(20)18-13-6-7-14(24-3)15(11-13)25-9-8-23-2/h4-7,10-12,19H,8-9H2,1-3H3,(H,18,20)
InChIKeySGBMDZPYOXJWBO-UHFFFAOYSA-N
XLogP2.09
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 55914783
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
2-(benzenesulfonamido)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methylsulfanylbutanamide
CID 55626826
N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 55965030
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55911805) is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is COCCOc1cc(NC(=O)C(C)NS(=O)(=O)c2cccs2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is SGBMDZPYOXJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S2/c1-12(19-27(21,22)16-5-4-10-26-16)17(20)18-13-6-7-14(24-3)15(11-13)25-9-8-23-2/h4-7,10-12,19H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 414.51 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55911805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).