N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide

C14H21NO2S — CID 115167626

IUPACN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
SMILESCOc1cc(C)c(NC(=O)CCS)cc1C(C)C
InChIInChI=1S/C14H21NO2S/c1-9(2)11-8-12(15-14(16)5-6-18)10(3)7-13(11)17-4/h7-9,18H,5-6H2,1-4H3,(H,15,16)
InChIKeyBSXSQIFOHCHYIC-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.39
Rot. Bonds5

About N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide

N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide (PubChem CID 115167626) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
PubChem CID115167626
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
SMILESCOc1cc(C)c(NC(=O)CCS)cc1C(C)C
InChIInChI=1S/C14H21NO2S/c1-9(2)11-8-12(15-14(16)5-6-18)10(3)7-13(11)17-4/h7-9,18H,5-6H2,1-4H3,(H,15,16)
InChIKeyBSXSQIFOHCHYIC-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 46972944
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236206
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 5268895
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
CID 28538834
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide (CID 115167626) is N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide is COc1cc(C)c(NC(=O)CCS)cc1C(C)C.
What is the InChIKey of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide?
The InChIKey is BSXSQIFOHCHYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9(2)11-8-12(15-14(16)5-6-18)10(3)7-13(11)17-4/h7-9,18H,5-6H2,1-4H3,(H,15,16).
What are the key properties of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide?
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 115167626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).