4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

C27H35N3O4S2 — CID 4098935

IUPAC4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)cc1
InChIInChI=1S/C27H35N3O4S2/c1-4-7-17-30(18-8-5-2)36(32,33)24-15-11-22(12-16-24)26(31)29-27-28-25(20-35-27)21-9-13-23(14-10-21)34-19-6-3/h9-16,20H,4-8,17-19H2,1-3H3,(H,28,29,31)
InChIKeyNQWFRRXQZGJJLW-UHFFFAOYSA-N
MW529.73 g/mol
LogP6.44
Rot. Bonds14

About 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4098935) has the molecular formula C27H35N3O4S2 and a molecular weight of 529.73 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4098935
Molecular FormulaC27H35N3O4S2
Molecular Weight529.73 g/mol
Exact Mass529.21
IUPAC Name4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)cc1
InChIInChI=1S/C27H35N3O4S2/c1-4-7-17-30(18-8-5-2)36(32,33)24-15-11-22(12-16-24)26(31)29-27-28-25(20-35-27)21-9-13-23(14-10-21)34-19-6-3/h9-16,20H,4-8,17-19H2,1-3H3,(H,28,29,31)
InChIKeyNQWFRRXQZGJJLW-UHFFFAOYSA-N
XLogP6.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-(azepan-1-ylsulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2141431
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzamide
CID 4138980
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
4-heptoxy-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4501198
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41038006
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 4098935) is 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is NQWFRRXQZGJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S2/c1-4-7-17-30(18-8-5-2)36(32,33)24-15-11-22(12-16-24)26(31)29-27-28-25(20-35-27)21-9-13-23(14-10-21)34-19-6-3/h9-16,20H,4-8,17-19H2,1-3H3,(H,28,29,31).
What are the key properties of 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 529.73 g/mol, XLogP of 6.44, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4098935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).