2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide

C25H25N3O4S2 — CID 100735863

IUPAC2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C25H25N3O4S2/c1-2-16-28-22-13-12-19(17-23(22)33-25(28)30)34(31,32)27-21-11-7-6-10-20(21)24(29)26-15-14-18-8-4-3-5-9-18/h3-13,17,27H,2,14-16H2,1H3,(H,26,29)
InChIKeyYCCNFJZMVKRUCO-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.25
Rot. Bonds9

About 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide

2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 100735863) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID100735863
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC Name2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C25H25N3O4S2/c1-2-16-28-22-13-12-19(17-23(22)33-25(28)30)34(31,32)27-21-11-7-6-10-20(21)24(29)26-15-14-18-8-4-3-5-9-18/h3-13,17,27H,2,14-16H2,1H3,(H,26,29)
InChIKeyYCCNFJZMVKRUCO-UHFFFAOYSA-N
XLogP4.25
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617
2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 100724442
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100741003
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 100740976
2-oxo-N-(3-phenylpropyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736520
2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735989
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100742448
2-oxo-N-(2-propan-2-yloxyphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100738641
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
ethyl 4-methyl-3-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzoate
CID 100736746
2-[[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazol-6-yl]sulfonylamino]-N-propan-2-ylbenzamide
CID 100754854

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 100735863) is 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide is CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc21.
What is the InChIKey of 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is YCCNFJZMVKRUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-2-16-28-22-13-12-19(17-23(22)33-25(28)30)34(31,32)27-21-11-7-6-10-20(21)24(29)26-15-14-18-8-4-3-5-9-18/h3-13,17,27H,2,14-16H2,1H3,(H,26,29).
What are the key properties of 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 495.63 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 100735863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).