N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide

C22H27N3O5S2 — CID 55546277

IUPACN-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)c2nc3ccccc3s2)ccc1OC
InChIInChI=1S/C22H27N3O5S2/c1-5-24(6-2)32(27,28)20-15-16(11-12-18(20)30-4)21(26)25(13-14-29-3)22-23-17-9-7-8-10-19(17)31-22/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyUECAUZUIVAPYRB-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.63
Rot. Bonds10

About N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide

N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 55546277) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID55546277
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)c2nc3ccccc3s2)ccc1OC
InChIInChI=1S/C22H27N3O5S2/c1-5-24(6-2)32(27,28)20-15-16(11-12-18(20)30-4)21(26)25(13-14-29-3)22-23-17-9-7-8-10-19(17)31-22/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyUECAUZUIVAPYRB-UHFFFAOYSA-N
XLogP3.63
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-5-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 55545478
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567700
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44922718
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
CID 41026972
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44924268
4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925183
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,4-dimethylbenzamide
CID 7577259
N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 43960050
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43964089
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78846151

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide (CID 55546277) is N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)c2nc3ccccc3s2)ccc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is UECAUZUIVAPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-5-24(6-2)32(27,28)20-15-16(11-12-18(20)30-4)21(26)25(13-14-29-3)22-23-17-9-7-8-10-19(17)31-22/h7-12,15H,5-6,13-14H2,1-4H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 477.61 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 55546277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).