N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide

C34H42N6O6S4 — CID 123186166

IUPACN-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC3CCN(CC)S(=O)(=O)c3ccc(-c4csc(NC(=O)C(C)C)n4)cc3)n2)cc1
InChIInChI=1S/C34H42N6O6S4/c1-6-39(7-2)49(43,44)26-13-9-23(10-14-26)30-21-48-34(36-30)38-32(42)28-19-25(28)17-18-40(8-3)50(45,46)27-15-11-24(12-16-27)29-20-47-33(35-29)37-31(41)22(4)5/h9-16,20-22,25,28H,6-8,17-19H2,1-5H3,(H,35,37,41)(H,36,38,42)
InChIKeyFYSKJMNCTBDILN-UHFFFAOYSA-N
MW759.01 g/mol
LogP6.23
Rot. Bonds16

About N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide

N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide (PubChem CID 123186166) has the molecular formula C34H42N6O6S4 and a molecular weight of 759.01 g/mol. Its IUPAC name is N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide
PubChem CID123186166
Molecular FormulaC34H42N6O6S4
Molecular Weight759.01 g/mol
Exact Mass758.20
IUPAC NameN-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC3CCN(CC)S(=O)(=O)c3ccc(-c4csc(NC(=O)C(C)C)n4)cc3)n2)cc1
InChIInChI=1S/C34H42N6O6S4/c1-6-39(7-2)49(43,44)26-13-9-23(10-14-26)30-21-48-34(36-30)38-32(42)28-19-25(28)17-18-40(8-3)50(45,46)27-15-11-24(12-16-27)29-20-47-33(35-29)37-31(41)22(4)5/h9-16,20-22,25,28H,6-8,17-19H2,1-5H3,(H,35,37,41)(H,36,38,42)
InChIKeyFYSKJMNCTBDILN-UHFFFAOYSA-N
XLogP6.23
TPSA158.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.01
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343639
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
CID 8750581
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide (CID 123186166) is N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC3CCN(CC)S(=O)(=O)c3ccc(-c4csc(NC(=O)C(C)C)n4)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is FYSKJMNCTBDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O6S4/c1-6-39(7-2)49(43,44)26-13-9-23(10-14-26)30-21-48-34(36-30)38-32(42)28-19-25(28)17-18-40(8-3)50(45,46)27-15-11-24(12-16-27)29-20-47-33(35-29)37-31(41)22(4)5/h9-16,20-22,25,28H,6-8,17-19H2,1-5H3,(H,35,37,41)(H,36,38,42).
What are the key properties of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide?
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 759.01 g/mol, XLogP of 6.23, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123186166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).