N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C21H28N2O6S — CID 126131716

IUPACN-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCCOCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O6S/c1-4-29-15-7-14-22-21(24)16-23(19-8-5-6-9-20(19)28-3)30(25,26)18-12-10-17(27-2)11-13-18/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24)
InChIKeyFHBDEKYXNVBLMD-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.44
Rot. Bonds12

About N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 126131716) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID126131716
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCCOCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O6S/c1-4-29-15-7-14-22-21(24)16-23(19-8-5-6-9-20(19)28-3)30(25,26)18-12-10-17(27-2)11-13-18/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24)
InChIKeyFHBDEKYXNVBLMD-UHFFFAOYSA-N
XLogP2.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126153789
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897758
N-(2-cyclohexylsulfanylethyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2928986
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
CID 126136501

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 126131716) is N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is CCOCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is FHBDEKYXNVBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-4-29-15-7-14-22-21(24)16-23(19-8-5-6-9-20(19)28-3)30(25,26)18-12-10-17(27-2)11-13-18/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24).
What are the key properties of N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 436.53 g/mol, XLogP of 2.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126131716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).