4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C27H37N3O3S2 — CID 43984161

IUPAC4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(CC)ccc3n2CCC)cc1
InChIInChI=1S/C27H37N3O3S2/c1-5-9-18-29(19-10-6-2)35(32,33)23-14-12-22(13-15-23)26(31)28-27-30(17-7-3)24-16-11-21(8-4)20-25(24)34-27/h11-16,20H,5-10,17-19H2,1-4H3/b28-27-
InChIKeyADYOZPFUKMIXKP-DQSJHHFOSA-N
MW515.75 g/mol
LogP6.01
Rot. Bonds12

About 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984161) has the molecular formula C27H37N3O3S2 and a molecular weight of 515.75 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984161
Molecular FormulaC27H37N3O3S2
Molecular Weight515.75 g/mol
Exact Mass515.23
IUPAC Name4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(CC)ccc3n2CCC)cc1
InChIInChI=1S/C27H37N3O3S2/c1-5-9-18-29(19-10-6-2)35(32,33)23-14-12-22(13-15-23)26(31)28-27-30(17-7-3)24-16-11-21(8-4)20-25(24)34-27/h11-16,20H,5-10,17-19H2,1-4H3/b28-27-
InChIKeyADYOZPFUKMIXKP-DQSJHHFOSA-N
XLogP6.01
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.75
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984160
4-(dibutylsulfamoyl)-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983805
4-(dibutylsulfamoyl)-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 43979198
4-(diethylsulfamoyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985079
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide
CID 5063208
methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate
CID 3347818
4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984153
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40997108
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40996818
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985122

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984161) is 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(CC)ccc3n2CCC)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ADYOZPFUKMIXKP-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H37N3O3S2/c1-5-9-18-29(19-10-6-2)35(32,33)23-14-12-22(13-15-23)26(31)28-27-30(17-7-3)24-16-11-21(8-4)20-25(24)34-27/h11-16,20H,5-10,17-19H2,1-4H3/b28-27-.
What are the key properties of 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 515.75 g/mol, XLogP of 6.01, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).