N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C21H19N3O5S2 — CID 167813480

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H19N3O5S2/c25-20(12-19-21(26)24-17-5-1-2-6-18(17)30-19)23-14-7-9-16(10-8-14)31(27,28)22-13-15-4-3-11-29-15/h1-11,19,22H,12-13H2,(H,23,25)(H,24,26)
InChIKeyBTBSNUQQGPGOHR-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 167813480) has the molecular formula C21H19N3O5S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID167813480
Molecular FormulaC21H19N3O5S2
Molecular Weight457.53 g/mol
Exact Mass457.08
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H19N3O5S2/c25-20(12-19-21(26)24-17-5-1-2-6-18(17)30-19)23-14-7-9-16(10-8-14)31(27,28)22-13-15-4-3-11-29-15/h1-11,19,22H,12-13H2,(H,23,25)(H,24,26)
InChIKeyBTBSNUQQGPGOHR-UHFFFAOYSA-N
XLogP3.20
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-2-phenoxy-acetamide
CID 652012
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-propionamide
CID 860463
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-3-methyl-butyramide
CID 860465
(2E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1326115
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2433385
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-[2-(furan-2-ylmethylsulfanyl)-ethyl]-acetamide
CID 3147872
N-(4-((2-(furan-2-yl)thiazolidin-3-yl)sulfonyl)phenyl)acetamide
CID 3153946
4-benzyl-N-(2-furylmethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide 1-oxide
CID 5308457
3-[(2-Ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]-N-[(5-methylfuran-2-YL)methyl]propanamide
CID 20902958
Sodium 4-cyclohexylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate
CID 23701900
(3-Oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetic acid 1-[(furan-2-ylmethyl)-carbamoyl]-butyl ester
CID 654935
(2-Furylmethyl)[4-(phenylsulfonyl)phenyl]amine
CID 732215

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 167813480) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is BTBSNUQQGPGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S2/c25-20(12-19-21(26)24-17-5-1-2-6-18(17)30-19)23-14-7-9-16(10-8-14)31(27,28)22-13-15-4-3-11-29-15/h1-11,19,22H,12-13H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 167813480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).