(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide

C18H19N5O3S2 — CID 99936630

IUPAC(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C18H19N5O3S2/c1-2-20-28(25,26)15-10-8-14(9-11-15)21-18(24)17(13-6-4-3-5-7-13)27-16-12-19-23-22-16/h3-12,17,20H,2H2,1H3,(H,21,24)(H,19,22,23)/t17-/m1/s1
InChIKeyOHQANUJVXNZCKQ-QGZVFWFLSA-N
MW417.52 g/mol
LogP2.58
Rot. Bonds8

About (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide

(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 99936630) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound Name(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID99936630
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C18H19N5O3S2/c1-2-20-28(25,26)15-10-8-14(9-11-15)21-18(24)17(13-6-4-3-5-7-13)27-16-12-19-23-22-16/h3-12,17,20H,2H2,1H3,(H,21,24)(H,19,22,23)/t17-/m1/s1
InChIKeyOHQANUJVXNZCKQ-QGZVFWFLSA-N
XLogP2.58
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide
CID 87048563
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
2-[[4-(2-phenylpropanoylamino)phenyl]sulfonylamino]acetic acid
CID 22456362
(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152230
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828103
N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide
CID 17310557
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 25251917
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 99936630) is (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide is CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is OHQANUJVXNZCKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-2-20-28(25,26)15-10-8-14(9-11-15)21-18(24)17(13-6-4-3-5-7-13)27-16-12-19-23-22-16/h3-12,17,20H,2H2,1H3,(H,21,24)(H,19,22,23)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 417.52 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 99936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).