N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide

C18H19N3O4S2 — CID 46325595

IUPACN-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)c3nc(NC(C)=O)sc3c2)cc1
InChIInChI=1S/C18H19N3O4S2/c1-4-25-14-5-7-15(8-6-14)27(23,24)21-13-9-11(2)17-16(10-13)26-18(20-17)19-12(3)22/h5-10,21H,4H2,1-3H3,(H,19,20,22)
InChIKeyWUYLPPCMVBOKOQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.76
Rot. Bonds6

About N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide

N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46325595) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
PubChem CID46325595
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)c3nc(NC(C)=O)sc3c2)cc1
InChIInChI=1S/C18H19N3O4S2/c1-4-25-14-5-7-15(8-6-14)27(23,24)21-13-9-11(2)17-16(10-13)26-18(20-17)19-12(3)22/h5-10,21H,4H2,1-3H3,(H,19,20,22)
InChIKeyWUYLPPCMVBOKOQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325564
N-[6-[(4-bromophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325536
N-[6-[(4-ethylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325555
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[6-[(4-ethoxyphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325883
1-(2-ethoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382510
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
CID 46291267
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291220
N-[6-[(2,5-dimethylphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325673
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 7542324

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide (CID 46325595) is N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide is CCOc1ccc(S(=O)(=O)Nc2cc(C)c3nc(NC(C)=O)sc3c2)cc1.
What is the InChIKey of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is WUYLPPCMVBOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-4-25-14-5-7-15(8-6-14)27(23,24)21-13-9-11(2)17-16(10-13)26-18(20-17)19-12(3)22/h5-10,21H,4H2,1-3H3,(H,19,20,22).
What are the key properties of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46325595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).