N-[(Z)-2-tritylsulfanylethenyl]acetamide

C23H21NOS — CID 12620558

IUPACN-[(Z)-2-tritylsulfanylethenyl]acetamide
SMILESCC(=O)N/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-19(25)24-17-18-26-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3,(H,24,25)/b18-17-
InChIKeyAGDPSCWUXXJFMM-ZCXUNETKSA-N
MW359.49 g/mol
LogP5.32
Rot. Bonds6

About N-[(Z)-2-tritylsulfanylethenyl]acetamide

N-[(Z)-2-tritylsulfanylethenyl]acetamide (PubChem CID 12620558) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(Z)-2-tritylsulfanylethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-tritylsulfanylethenyl]acetamide
PubChem CID12620558
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC NameN-[(Z)-2-tritylsulfanylethenyl]acetamide
SMILESCC(=O)N/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-19(25)24-17-18-26-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3,(H,24,25)/b18-17-
InChIKeyAGDPSCWUXXJFMM-ZCXUNETKSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine
CID 139757593
tert-butyl (Z)-3-tritylsulfanylprop-2-enoate
CID 5377061
N-(2-phenylethenyl)acetamide
CID 54032077
(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine
CID 139757590
N-acetyl-2-tritylsulfanylacetamide
CID 12837901
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
methyl 5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazole-4-carboxylate
CID 68598838
tert-butyl N-[(Z)-2-methyl-3-tritylsulfanylprop-2-enyl]carbamate
CID 139702121
5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide
CID 68601263
N-(cyanomethyl)-5-[(Z)-2-tritylsulfanylethenyl]-1,3-thiazole-4-carboxamide
CID 140552221
(4-methoxyphenyl)methyl N-[(Z)-4-tritylsulfanylbut-3-enyl]carbamate
CID 139702002
N-[2-[(Z)-3-tritylsulfanylprop-2-enyl]sulfanylethyl]methanesulfonamide
CID 139702118

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-tritylsulfanylethenyl]acetamide?
The IUPAC name of N-[(Z)-2-tritylsulfanylethenyl]acetamide (CID 12620558) is N-[(Z)-2-tritylsulfanylethenyl]acetamide.
What is the SMILES notation for N-[(Z)-2-tritylsulfanylethenyl]acetamide?
The canonical SMILES for N-[(Z)-2-tritylsulfanylethenyl]acetamide is CC(=O)N/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-tritylsulfanylethenyl]acetamide?
The InChIKey is AGDPSCWUXXJFMM-ZCXUNETKSA-N. The full InChI is InChI=1S/C23H21NOS/c1-19(25)24-17-18-26-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3,(H,24,25)/b18-17-.
What are the key properties of N-[(Z)-2-tritylsulfanylethenyl]acetamide?
N-[(Z)-2-tritylsulfanylethenyl]acetamide has a molecular weight of 359.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-tritylsulfanylethenyl]acetamide is sourced from PubChem (CID 12620558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).