2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide

C19H23N3O4S2 — CID 24549475

IUPAC2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-15-7-9-17(10-8-15)28(25,26)22-14-19(24)21-13-18(23)20-11-12-27-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyDGZFVLKSJFEPAO-UHFFFAOYSA-N
MW421.54 g/mol
LogP1.30
Rot. Bonds10

About 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 24549475) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID24549475
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-15-7-9-17(10-8-15)28(25,26)22-14-19(24)21-13-18(23)20-11-12-27-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyDGZFVLKSJFEPAO-UHFFFAOYSA-N
XLogP1.30
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide
CID 24583699
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061289
2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
CID 22307537
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344397
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9155582
2-[(4-methylphenyl)sulfonylamino]-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4276610
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51343907
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344104
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide (CID 24549475) is 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is DGZFVLKSJFEPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-15-7-9-17(10-8-15)28(25,26)22-14-19(24)21-13-18(23)20-11-12-27-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide?
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 421.54 g/mol, XLogP of 1.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 24549475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).