1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea

C14H25N3O3S — CID 123292195

IUPAC1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea
SMILESCOc1ccc(NC(=O)NS(C)(C)C)c(OCCCN)c1
InChIInChI=1S/C14H25N3O3S/c1-19-11-6-7-12(13(10-11)20-9-5-8-15)16-14(18)17-21(2,3)4/h6-7,10H,5,8-9,15H2,1-4H3,(H2,16,17,18)
InChIKeyFYMGDALONZOHMN-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.15
Rot. Bonds7

About 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea

1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea (PubChem CID 123292195) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea.

Molecular Properties

Compound Name1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea
PubChem CID123292195
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea
SMILESCOc1ccc(NC(=O)NS(C)(C)C)c(OCCCN)c1
InChIInChI=1S/C14H25N3O3S/c1-19-11-6-7-12(13(10-11)20-9-5-8-15)16-14(18)17-21(2,3)4/h6-7,10H,5,8-9,15H2,1-4H3,(H2,16,17,18)
InChIKeyFYMGDALONZOHMN-UHFFFAOYSA-N
XLogP2.15
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea 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

1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea?
The IUPAC name of 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea (CID 123292195) is 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea.
What is the SMILES notation for 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea?
The canonical SMILES for 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea is COc1ccc(NC(=O)NS(C)(C)C)c(OCCCN)c1.
What is the InChIKey of 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea?
The InChIKey is FYMGDALONZOHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-19-11-6-7-12(13(10-11)20-9-5-8-15)16-14(18)17-21(2,3)4/h6-7,10H,5,8-9,15H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea?
1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea has a molecular weight of 315.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropoxy)-4-methoxyphenyl]-3-(trimethyl-λ4-sulfanyl)urea is sourced from PubChem (CID 123292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).