2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide

C18H16ClN5O4S2 — CID 41211564

IUPAC2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H16ClN5O4S2/c19-11-1-3-13(4-2-11)22-17(26)24-18-23-14(10-29-18)9-16(25)21-12-5-7-15(8-6-12)30(20,27)28/h1-8,10H,9H2,(H,21,25)(H2,20,27,28)(H2,22,23,24,26)
InChIKeyUOVZEVDCNUJFGP-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 41211564) has the molecular formula C18H16ClN5O4S2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID41211564
Molecular FormulaC18H16ClN5O4S2
Molecular Weight465.94 g/mol
Exact Mass465.03
IUPAC Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H16ClN5O4S2/c19-11-1-3-13(4-2-11)22-17(26)24-18-23-14(10-29-18)9-16(25)21-12-5-7-15(8-6-12)30(20,27)28/h1-8,10H,9H2,(H,21,25)(H2,20,27,28)(H2,22,23,24,26)
InChIKeyUOVZEVDCNUJFGP-UHFFFAOYSA-N
XLogP3.27
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[2-[[4-(1-methyltriazol-4-yl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
CID 166429356
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229370
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567599
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940888
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide (CID 41211564) is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is UOVZEVDCNUJFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O4S2/c19-11-1-3-13(4-2-11)22-17(26)24-18-23-14(10-29-18)9-16(25)21-12-5-7-15(8-6-12)30(20,27)28/h1-8,10H,9H2,(H,21,25)(H2,20,27,28)(H2,22,23,24,26).
What are the key properties of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 465.94 g/mol, XLogP of 3.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 41211564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).