N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide

C21H24N2OS — CID 29469612

IUPACN-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESO=C(CNc1ccccc1Sc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C21H24N2OS/c24-20(23-21(15-10-11-15)16-12-13-16)14-22-18-8-4-5-9-19(18)25-17-6-2-1-3-7-17/h1-9,15-16,21-22H,10-14H2,(H,23,24)
InChIKeyMSBPSBJVQNNQKW-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.55
Rot. Bonds8

About N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide

N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide (PubChem CID 29469612) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
PubChem CID29469612
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESO=C(CNc1ccccc1Sc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C21H24N2OS/c24-20(23-21(15-10-11-15)16-12-13-16)14-22-18-8-4-5-9-19(18)25-17-6-2-1-3-7-17/h1-9,15-16,21-22H,10-14H2,(H,23,24)
InChIKeyMSBPSBJVQNNQKW-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 24583272
N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 86918327
N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583270
2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
CID 34068559
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-phenylsulfanylanilino)acetamide
CID 42068568
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
CID 42068550
N-methyl-N-phenyl-2-(2-phenylsulfanylanilino)acetamide
CID 24583235
2-(benzhydrylamino)-N-(dicyclopropylmethyl)acetamide
CID 29458643
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583286
N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 18278497
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
CID 115923634

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide (CID 29469612) is N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide is O=C(CNc1ccccc1Sc1ccccc1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide?
The InChIKey is MSBPSBJVQNNQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c24-20(23-21(15-10-11-15)16-12-13-16)14-22-18-8-4-5-9-19(18)25-17-6-2-1-3-7-17/h1-9,15-16,21-22H,10-14H2,(H,23,24).
What are the key properties of N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide?
N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide has a molecular weight of 352.50 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide is sourced from PubChem (CID 29469612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).