N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C20H15N3O3S3 — CID 55991234

IUPACN-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H15N3O3S3/c24-19(22-16-6-2-5-15(13-16)20-21-9-11-28-20)14-4-1-7-17(12-14)23-29(25,26)18-8-3-10-27-18/h1-13,23H,(H,22,24)
InChIKeyVDPVVPCZWDBPMY-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.92
Rot. Bonds6

About N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55991234) has the molecular formula C20H15N3O3S3 and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55991234
Molecular FormulaC20H15N3O3S3
Molecular Weight441.56 g/mol
Exact Mass441.03
IUPAC NameN-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H15N3O3S3/c24-19(22-16-6-2-5-15(13-16)20-21-9-11-28-20)14-4-1-7-17(12-14)23-29(25,26)18-8-3-10-27-18/h1-13,23H,(H,22,24)
InChIKeyVDPVVPCZWDBPMY-UHFFFAOYSA-N
XLogP4.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
N-(6-imidazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55829891
4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 61300199
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55991234) is N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1cccc(-c2nccs2)c1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is VDPVVPCZWDBPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S3/c24-19(22-16-6-2-5-15(13-16)20-21-9-11-28-20)14-4-1-7-17(12-14)23-29(25,26)18-8-3-10-27-18/h1-13,23H,(H,22,24).
What are the key properties of N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 441.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55991234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).