N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

C21H25N3O6S2 — CID 30711155

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C21H25N3O6S2/c25-21(23-17-7-9-18(10-8-17)24-11-3-13-31(24,26)27)16-4-1-6-20(14-16)32(28,29)22-15-19-5-2-12-30-19/h1,4,6-10,14,19,22H,2-3,5,11-13,15H2,(H,23,25)/t19-/m1/s1
InChIKeyHKISCMSQCBRLOK-LJQANCHMSA-N
MW479.58 g/mol
LogP1.94
Rot. Bonds7

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 30711155) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID30711155
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C21H25N3O6S2/c25-21(23-17-7-9-18(10-8-17)24-11-3-13-31(24,26)27)16-4-1-6-20(14-16)32(28,29)22-15-19-5-2-12-30-19/h1,4,6-10,14,19,22H,2-3,5,11-13,15H2,(H,23,25)/t19-/m1/s1
InChIKeyHKISCMSQCBRLOK-LJQANCHMSA-N
XLogP1.94
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
4-(1,1-dioxothiazinan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 50797591
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648821
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 30711155) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is HKISCMSQCBRLOK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c25-21(23-17-7-9-18(10-8-17)24-11-3-13-31(24,26)27)16-4-1-6-20(14-16)32(28,29)22-15-19-5-2-12-30-19/h1,4,6-10,14,19,22H,2-3,5,11-13,15H2,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 479.58 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 30711155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).