2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C21H23N3O5S2 — CID 4857459

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O5S2/c1-23-16-5-3-4-6-18(16)30-21(23)22-20(25)14-15-7-8-17(28-2)19(13-15)31(26,27)24-9-11-29-12-10-24/h3-8,13H,9-12,14H2,1-2H3/b22-21-
InChIKeyGPINZZXXSPPLAD-DQRAZIAOSA-N
MW461.57 g/mol
LogP1.94
Rot. Bonds5

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 4857459) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID4857459
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O5S2/c1-23-16-5-3-4-6-18(16)30-21(23)22-20(25)14-15-7-8-17(28-2)19(13-15)31(26,27)24-9-11-29-12-10-24/h3-8,13H,9-12,14H2,1-2H3/b22-21-
InChIKeyGPINZZXXSPPLAD-DQRAZIAOSA-N
XLogP1.94
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 34464156
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55855757
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 40985124
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 4857459) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is COc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is GPINZZXXSPPLAD-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-23-16-5-3-4-6-18(16)30-21(23)22-20(25)14-15-7-8-17(28-2)19(13-15)31(26,27)24-9-11-29-12-10-24/h3-8,13H,9-12,14H2,1-2H3/b22-21-.
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 461.57 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 4857459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).