N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide

C22H21N3O4S2 — CID 23094842

IUPACN-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O4S2/c23-31(28,29)20-12-8-18(9-13-20)25-22(27)15-30-19-10-6-17(7-11-19)24-21(26)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)(H2,23,28,29)
InChIKeyFWOWCMNTJCLLMW-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.25
Rot. Bonds8

About N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide

N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 23094842) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
PubChem CID23094842
Molecular FormulaC22H21N3O4S2
Molecular Weight455.56 g/mol
Exact Mass455.10
IUPAC NameN-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O4S2/c23-31(28,29)20-12-8-18(9-13-20)25-22(27)15-30-19-10-6-17(7-11-19)24-21(26)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)(H2,23,28,29)
InChIKeyFWOWCMNTJCLLMW-UHFFFAOYSA-N
XLogP3.25
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
(E)-4-oxo-4-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylanilino]but-2-enoic acid
CID 22786162
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
N-[4-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 23100673
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22777048

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide (CID 23094842) is N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide?
The InChIKey is FWOWCMNTJCLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c23-31(28,29)20-12-8-18(9-13-20)25-22(27)15-30-19-10-6-17(7-11-19)24-21(26)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)(H2,23,28,29).
What are the key properties of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide?
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 455.56 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 23094842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).