N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide

C18H19N3O4S2 — CID 30152972

IUPACN-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide
SMILESCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C18H19N3O4S2/c1-4-19-18(22)12-5-8-15(25-3)17(9-12)27(23,24)21-13-6-7-14-16(10-13)26-11(2)20-14/h5-10,21H,4H2,1-3H3,(H,19,22)
InChIKeyAMXDPVHKCZUJFK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide

N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide (PubChem CID 30152972) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide
PubChem CID30152972
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide
SMILESCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C18H19N3O4S2/c1-4-19-18(22)12-5-8-15(25-3)17(9-12)27(23,24)21-13-6-7-14-16(10-13)26-11(2)20-14/h5-10,21H,4H2,1-3H3,(H,19,22)
InChIKeyAMXDPVHKCZUJFK-UHFFFAOYSA-N
XLogP3.16
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325517
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18110845
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide?
The IUPAC name of N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide (CID 30152972) is N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide?
The canonical SMILES for N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide is CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide?
The InChIKey is AMXDPVHKCZUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-4-19-18(22)12-5-8-15(25-3)17(9-12)27(23,24)21-13-6-7-14-16(10-13)26-11(2)20-14/h5-10,21H,4H2,1-3H3,(H,19,22).
What are the key properties of N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide?
N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide is sourced from PubChem (CID 30152972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).