2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H22N4O6S2 — CID 2527130

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O6S2/c1-13(23)22-15-4-8-17(9-5-15)30(27,28)21-12-18(24)20-11-10-14-2-6-16(7-3-14)29(19,25)26/h2-9,21H,10-12H2,1H3,(H,20,24)(H,22,23)(H2,19,25,26)
InChIKeyUNQSDSKLJJAYGB-UHFFFAOYSA-N
MW454.53 g/mol
LogP-0.07
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2527130) has the molecular formula C18H22N4O6S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2527130
Molecular FormulaC18H22N4O6S2
Molecular Weight454.53 g/mol
Exact Mass454.10
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O6S2/c1-13(23)22-15-4-8-17(9-5-15)30(27,28)21-12-18(24)20-11-10-14-2-6-16(7-3-14)29(19,25)26/h2-9,21H,10-12H2,1H3,(H,20,24)(H,22,23)(H2,19,25,26)
InChIKeyUNQSDSKLJJAYGB-UHFFFAOYSA-N
XLogP-0.07
TPSA164.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-(N-isopropylanilino)acetamide
CID 513418
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
4-{[(2-{[(4-Methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
CID 155289401
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2527130) is 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is UNQSDSKLJJAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S2/c1-13(23)22-15-4-8-17(9-5-15)30(27,28)21-12-18(24)20-11-10-14-2-6-16(7-3-14)29(19,25)26/h2-9,21H,10-12H2,1H3,(H,20,24)(H,22,23)(H2,19,25,26).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of -0.07, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2527130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).