N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

C21H26N2O3S — CID 55920650

IUPACN-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(CCCNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-3-7-18(13-16)23-21(25)15-27-14-20(24)22-12-4-6-17-8-10-19(26-2)11-9-17/h3,5,7-11,13H,4,6,12,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySYFPGPRJYODXIA-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.42
Rot. Bonds10

About N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 55920650) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID55920650
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(CCCNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-3-7-18(13-16)23-21(25)15-27-14-20(24)22-12-4-6-17-8-10-19(26-2)11-9-17/h3,5,7-11,13H,4,6,12,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySYFPGPRJYODXIA-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7973630
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7979806
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(4-methoxyphenyl)-2-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]sulfanylacetamide
CID 55979719
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 55919381
2-[[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240560
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 55920650) is N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is COc1ccc(CCCNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is SYFPGPRJYODXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-5-3-7-18(13-16)23-21(25)15-27-14-20(24)22-12-4-6-17-8-10-19(26-2)11-9-17/h3,5,7-11,13H,4,6,12,14-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 386.52 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 55920650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).