N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide

C24H32N4O2S4 — CID 102225669

IUPACN-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide
SMILESCCSc1cc(NC(C)=O)cc(SCC)c1/N=N/c1c(SCC)cc(NC(C)=O)cc1SCC
InChIInChI=1S/C24H32N4O2S4/c1-7-31-19-11-17(25-15(5)29)12-20(32-8-2)23(19)27-28-24-21(33-9-3)13-18(26-16(6)30)14-22(24)34-10-4/h11-14H,7-10H2,1-6H3,(H,25,29)(H,26,30)/b28-27+
InChIKeyWSDDLZJTSWVYQW-BYYHNAKLSA-N
MW536.81 g/mol
LogP8.47
Rot. Bonds12

About N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide

N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide (PubChem CID 102225669) has the molecular formula C24H32N4O2S4 and a molecular weight of 536.81 g/mol. Its IUPAC name is N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide
PubChem CID102225669
Molecular FormulaC24H32N4O2S4
Molecular Weight536.81 g/mol
Exact Mass536.14
IUPAC NameN-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide
SMILESCCSc1cc(NC(C)=O)cc(SCC)c1/N=N/c1c(SCC)cc(NC(C)=O)cc1SCC
InChIInChI=1S/C24H32N4O2S4/c1-7-31-19-11-17(25-15(5)29)12-20(32-8-2)23(19)27-28-24-21(33-9-3)13-18(26-16(6)30)14-22(24)34-10-4/h11-14H,7-10H2,1-6H3,(H,25,29)(H,26,30)/b28-27+
InChIKeyWSDDLZJTSWVYQW-BYYHNAKLSA-N
XLogP8.47
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.81
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide
CID 102528844
N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide
CID 102314121
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate
CID 8658426
N-(3-fluoro-5-pentan-2-ylphenyl)acetamide
CID 155396943
N-(3-fluoro-5-propan-2-ylphenyl)acetamide
CID 139423265
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103
N-[4-[4-ethylsulfanyl-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562992
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide (CID 102225669) is N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide is CCSc1cc(NC(C)=O)cc(SCC)c1/N=N/c1c(SCC)cc(NC(C)=O)cc1SCC.
What is the InChIKey of N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide?
The InChIKey is WSDDLZJTSWVYQW-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H32N4O2S4/c1-7-31-19-11-17(25-15(5)29)12-20(32-8-2)23(19)27-28-24-21(33-9-3)13-18(26-16(6)30)14-22(24)34-10-4/h11-14H,7-10H2,1-6H3,(H,25,29)(H,26,30)/b28-27+.
What are the key properties of N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide?
N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide has a molecular weight of 536.81 g/mol, XLogP of 8.47, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 102225669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).