2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide

C30H30N4O6S2 — CID 21212069

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H30N4O6S2/c35-29(23-33(25-13-5-1-6-14-25)41(37,38)27-17-9-3-10-18-27)31-21-22-32-30(36)24-34(26-15-7-2-8-16-26)42(39,40)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,31,35)(H,32,36)
InChIKeyKLESLWSCDITWLR-UHFFFAOYSA-N
MW606.73 g/mol
LogP3.01
Rot. Bonds13

About 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide (PubChem CID 21212069) has the molecular formula C30H30N4O6S2 and a molecular weight of 606.73 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
PubChem CID21212069
Molecular FormulaC30H30N4O6S2
Molecular Weight606.73 g/mol
Exact Mass606.16
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H30N4O6S2/c35-29(23-33(25-13-5-1-6-14-25)41(37,38)27-17-9-3-10-18-27)31-21-22-32-30(36)24-34(26-15-7-2-8-16-26)42(39,40)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,31,35)(H,32,36)
InChIKeyKLESLWSCDITWLR-UHFFFAOYSA-N
XLogP3.01
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.73
LogP ≤ 53.01
H-Bond Donors ≤ 52
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)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
CID 30169579
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(2-benzylsulfanylethyl)acetamide
CID 3729439
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30249007
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-tert-butylsulfanylethyl)acetamide
CID 2288502
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide (CID 21212069) is 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide?
The InChIKey is KLESLWSCDITWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6S2/c35-29(23-33(25-13-5-1-6-14-25)41(37,38)27-17-9-3-10-18-27)31-21-22-32-30(36)24-34(26-15-7-2-8-16-26)42(39,40)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,31,35)(H,32,36).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide has a molecular weight of 606.73 g/mol, XLogP of 3.01, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 21212069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).