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

C21H25N3O4S2 — CID 133207617

IUPACN-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)CC)ccc21
InChIInChI=1S/C21H25N3O4S2/c1-4-12-24-18-11-10-15(13-19(18)29-21(24)26)30(27,28)23-17-9-7-6-8-16(17)20(25)22-14(3)5-2/h6-11,13-14,23H,4-5,12H2,1-3H3,(H,22,25)
InChIKeyBOKSJJDPRCEKGZ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.80
Rot. Bonds8

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

N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide (PubChem CID 133207617) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
PubChem CID133207617
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC NameN-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)CC)ccc21
InChIInChI=1S/C21H25N3O4S2/c1-4-12-24-18-11-10-15(13-19(18)29-21(24)26)30(27,28)23-17-9-7-6-8-16(17)20(25)22-14(3)5-2/h6-11,13-14,23H,4-5,12H2,1-3H3,(H,22,25)
InChIKeyBOKSJJDPRCEKGZ-UHFFFAOYSA-N
XLogP3.80
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 100735863
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-propan-2-ylbenzamide
CID 100740976
2-[[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazol-6-yl]sulfonylamino]-N-propan-2-ylbenzamide
CID 100754854
2-oxo-N-(2-propan-2-yloxyphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100738641
2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 100724442
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100741003
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide (CID 133207617) is N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide is CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)CC)ccc21.
What is the InChIKey of N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
The InChIKey is BOKSJJDPRCEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-4-12-24-18-11-10-15(13-19(18)29-21(24)26)30(27,28)23-17-9-7-6-8-16(17)20(25)22-14(3)5-2/h6-11,13-14,23H,4-5,12H2,1-3H3,(H,22,25).
What are the key properties of N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide has a molecular weight of 447.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 133207617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).