2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

C22H17N3O4S2 — CID 25405382

IUPAC2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H17N3O4S2/c26-21(23-16-11-13-18(14-12-16)29-17-7-3-1-4-8-17)20-15-30-22(24-20)25-31(27,28)19-9-5-2-6-10-19/h1-15H,(H,23,26)(H,24,25)
InChIKeyKHGUZQHTISOLQC-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.99
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25405382) has the molecular formula C22H17N3O4S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25405382
Molecular FormulaC22H17N3O4S2
Molecular Weight451.53 g/mol
Exact Mass451.07
IUPAC Name2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H17N3O4S2/c26-21(23-16-11-13-18(14-12-16)29-17-7-3-1-4-8-17)20-15-30-22(24-20)25-31(27,28)19-9-5-2-6-10-19/h1-15H,(H,23,26)(H,24,25)
InChIKeyKHGUZQHTISOLQC-UHFFFAOYSA-N
XLogP4.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 25405391
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109109
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (CID 25405382) is 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KHGUZQHTISOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S2/c26-21(23-16-11-13-18(14-12-16)29-17-7-3-1-4-8-17)20-15-30-22(24-20)25-31(27,28)19-9-5-2-6-10-19/h1-15H,(H,23,26)(H,24,25).
What are the key properties of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).