4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C20H21N3O4S2 — CID 16831206

IUPAC4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C20H21N3O4S2/c1-23(13-15-5-4-12-27-15)29(25,26)16-10-8-14(9-11-16)19(24)22-20-21-17-6-2-3-7-18(17)28-20/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,21,22,24)
InChIKeyWRDRATGSQAWFMG-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.69
Rot. Bonds6

About 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16831206) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID16831206
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C20H21N3O4S2/c1-23(13-15-5-4-12-27-15)29(25,26)16-10-8-14(9-11-16)19(24)22-20-21-17-6-2-3-7-18(17)28-20/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,21,22,24)
InChIKeyWRDRATGSQAWFMG-UHFFFAOYSA-N
XLogP3.69
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18584106
4-[methyl(phenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 16605132
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 43947094
4-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43054170
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 7656195
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947496
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947495
3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60571694
4-[(4-methoxyphenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611794
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 30796774

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 16831206) is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WRDRATGSQAWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-23(13-15-5-4-12-27-15)29(25,26)16-10-8-14(9-11-16)19(24)22-20-21-17-6-2-3-7-18(17)28-20/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,21,22,24).
What are the key properties of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16831206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).