N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide

C24H33N3O5S2 — CID 17112963

IUPACN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C24H33N3O5S2/c1-4-15-27(16-5-2)34(29,30)22-13-9-20(10-14-22)25-24(33)26-23(28)19-7-11-21(12-8-19)32-18-17-31-6-3/h7-14H,4-6,15-18H2,1-3H3,(H2,25,26,28,33)
InChIKeyHKCPTELQLOBMEO-UHFFFAOYSA-N
MW507.68 g/mol
LogP4.04
Rot. Bonds13

About N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide

N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide (PubChem CID 17112963) has the molecular formula C24H33N3O5S2 and a molecular weight of 507.68 g/mol. Its IUPAC name is N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
PubChem CID17112963
Molecular FormulaC24H33N3O5S2
Molecular Weight507.68 g/mol
Exact Mass507.19
IUPAC NameN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C24H33N3O5S2/c1-4-15-27(16-5-2)34(29,30)22-13-9-20(10-14-22)25-24(33)26-23(28)19-7-11-21(12-8-19)32-18-17-31-6-3/h7-14H,4-6,15-18H2,1-3H3,(H2,25,26,28,33)
InChIKeyHKCPTELQLOBMEO-UHFFFAOYSA-N
XLogP4.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.68
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952258
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196571
4-butan-2-yloxy-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17141588
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112832
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-heptoxybenzamide
CID 17130764
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
CID 17112844
ethyl 4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17112872
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxybenzamide
CID 4935751
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952219

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide (CID 17112963) is N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCOCC)cc2)cc1.
What is the InChIKey of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
The InChIKey is HKCPTELQLOBMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S2/c1-4-15-27(16-5-2)34(29,30)22-13-9-20(10-14-22)25-24(33)26-23(28)19-7-11-21(12-8-19)32-18-17-31-6-3/h7-14H,4-6,15-18H2,1-3H3,(H2,25,26,28,33).
What are the key properties of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide has a molecular weight of 507.68 g/mol, XLogP of 4.04, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17112963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).