4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

C43H43N5O6S3 — CID 43947043

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(Cc5ccccc5)C(C)C)cc4)n3)c2)cc1
InChIInChI=1S/C43H43N5O6S3/c1-30(2)47(27-32-12-7-5-8-13-32)56(51,52)38-22-18-34(19-23-38)41(49)44-37-17-11-16-36(26-37)40-29-55-43(45-40)46-42(50)35-20-24-39(25-21-35)57(53,54)48(31(3)4)28-33-14-9-6-10-15-33/h5-26,29-31H,27-28H2,1-4H3,(H,44,49)(H,45,46,50)
InChIKeyFEDJOPJGNWTTKL-UHFFFAOYSA-N
MW822.05 g/mol
LogP8.51
Rot. Bonds15

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 43947043) has the molecular formula C43H43N5O6S3 and a molecular weight of 822.05 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID43947043
Molecular FormulaC43H43N5O6S3
Molecular Weight822.05 g/mol
Exact Mass821.24
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(Cc5ccccc5)C(C)C)cc4)n3)c2)cc1
InChIInChI=1S/C43H43N5O6S3/c1-30(2)47(27-32-12-7-5-8-13-32)56(51,52)38-22-18-34(19-23-38)41(49)44-37-17-11-16-36(26-37)40-29-55-43(45-40)46-42(50)35-20-24-39(25-21-35)57(53,54)48(31(3)4)28-33-14-9-6-10-15-33/h5-26,29-31H,27-28H2,1-4H3,(H,44,49)(H,45,46,50)
InChIKeyFEDJOPJGNWTTKL-UHFFFAOYSA-N
XLogP8.51
TPSA145.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]-4-[benzyl(propan-2-yl)sulfamoyl]benzamide
CID 16833742
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4560514
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35804756
4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842
4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 43947043) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(Cc5ccccc5)C(C)C)cc4)n3)c2)cc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is FEDJOPJGNWTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N5O6S3/c1-30(2)47(27-32-12-7-5-8-13-32)56(51,52)38-22-18-34(19-23-38)41(49)44-37-17-11-16-36(26-37)40-29-55-43(45-40)46-42(50)35-20-24-39(25-21-35)57(53,54)48(31(3)4)28-33-14-9-6-10-15-33/h5-26,29-31H,27-28H2,1-4H3,(H,44,49)(H,45,46,50).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 822.05 g/mol, XLogP of 8.51, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 43947043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).