N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide

C23H19ClN2O4S2 — CID 41323176

IUPACN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C23H19ClN2O4S2/c1-30-17-10-12-18(13-11-17)32(28,29)15-21(27)26(14-16-6-3-2-4-7-16)23-25-22-19(24)8-5-9-20(22)31-23/h2-13H,14-15H2,1H3
InChIKeyTXVQPRRIHJNKDQ-UHFFFAOYSA-N
MW487.00 g/mol
LogP4.97
Rot. Bonds7

About N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide

N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 41323176) has the molecular formula C23H19ClN2O4S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID41323176
Molecular FormulaC23H19ClN2O4S2
Molecular Weight487.00 g/mol
Exact Mass486.05
IUPAC NameN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C23H19ClN2O4S2/c1-30-17-10-12-18(13-11-17)32(28,29)15-21(27)26(14-16-6-3-2-4-7-16)23-25-22-19(24)8-5-9-20(22)31-23/h2-13H,14-15H2,1H3
InChIKeyTXVQPRRIHJNKDQ-UHFFFAOYSA-N
XLogP4.97
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 41109876
3-(benzenesulfonyl)-N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)propanamide
CID 18581938
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 41109878
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)sulfonylbutanamide
CID 41320160
N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41323194
N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 18581958
N-benzyl-4-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
CID 16939075
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 41047408
N-benzyl-2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41115638
N-benzyl-2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41115292
N-benzyl-3-(4-chlorophenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 41109651
methyl 4-[benzyl-(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41109852

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide (CID 41323176) is N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is TXVQPRRIHJNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4S2/c1-30-17-10-12-18(13-11-17)32(28,29)15-21(27)26(14-16-6-3-2-4-7-16)23-25-22-19(24)8-5-9-20(22)31-23/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 487.00 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 41323176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).