4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C28H29N3O4S2 — CID 4560514

IUPAC4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)(C)C)cc3)n2)c1
InChIInChI=1S/C28H29N3O4S2/c1-28(2,3)31(18-20-9-6-5-7-10-20)37(33,34)24-15-13-21(14-16-24)26(32)30-27-29-25(19-36-27)22-11-8-12-23(17-22)35-4/h5-17,19H,18H2,1-4H3,(H,29,30,32)
InChIKeySIVZFJDSBREVCU-UHFFFAOYSA-N
MW535.69 g/mol
LogP6.06
Rot. Bonds8

About 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4560514) has the molecular formula C28H29N3O4S2 and a molecular weight of 535.69 g/mol. Its IUPAC name is 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4560514
Molecular FormulaC28H29N3O4S2
Molecular Weight535.69 g/mol
Exact Mass535.16
IUPAC Name4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)(C)C)cc3)n2)c1
InChIInChI=1S/C28H29N3O4S2/c1-28(2,3)31(18-20-9-6-5-7-10-20)37(33,34)24-15-13-21(14-16-24)26(32)30-27-29-25(19-36-27)22-11-8-12-23(17-22)35-4/h5-17,19H,18H2,1-4H3,(H,29,30,32)
InChIKeySIVZFJDSBREVCU-UHFFFAOYSA-N
XLogP6.06
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
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(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5056068
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
4-[benzyl(ethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4155724
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 4560514) is 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1cccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)(C)C)cc3)n2)c1.
What is the InChIKey of 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SIVZFJDSBREVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4S2/c1-28(2,3)31(18-20-9-6-5-7-10-20)37(33,34)24-15-13-21(14-16-24)26(32)30-27-29-25(19-36-27)22-11-8-12-23(17-22)35-4/h5-17,19H,18H2,1-4H3,(H,29,30,32).
What are the key properties of 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 535.69 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4560514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).