N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide

C22H21N3O3S — CID 9423860

IUPACN-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21N3O3S/c1-15(26)23-17-9-11-18(12-10-17)24-21(27)13-29-14-22(28)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyNSMFTOFSWNNWMN-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.11
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 9423860) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID9423860
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21N3O3S/c1-15(26)23-17-9-11-18(12-10-17)24-21(27)13-29-14-22(28)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyNSMFTOFSWNNWMN-UHFFFAOYSA-N
XLogP4.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
CID 9457130
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9456862
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-naphthalen-1-ylacetamide
CID 9457671
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 23987823
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide (CID 9423860) is N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is NSMFTOFSWNNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-15(26)23-17-9-11-18(12-10-17)24-21(27)13-29-14-22(28)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 407.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9423860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).