N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide

C22H19N3O4S3 — CID 71661886

IUPACN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C22H19N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h1-7,10-14,25H,8-9H2,(H,23,26)(H,24,27)
InChIKeyPRAOKYABXUCOGD-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.54
Rot. Bonds8

About N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide

N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide (PubChem CID 71661886) has the molecular formula C22H19N3O4S3 and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide
PubChem CID71661886
Molecular FormulaC22H19N3O4S3
Molecular Weight485.61 g/mol
Exact Mass485.05
IUPAC NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C22H19N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h1-7,10-14,25H,8-9H2,(H,23,26)(H,24,27)
InChIKeyPRAOKYABXUCOGD-UHFFFAOYSA-N
XLogP4.54
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide (CID 71661886) is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1.
What is the InChIKey of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide?
The InChIKey is PRAOKYABXUCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h1-7,10-14,25H,8-9H2,(H,23,26)(H,24,27).
What are the key properties of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide?
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide has a molecular weight of 485.61 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 71661886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).