N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide

C16H25NO5S — CID 142403236

IUPACN-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide
SMILESCc1ccc(SOCCOCCOCCOCCNC=O)cc1
InChIInChI=1S/C16H25NO5S/c1-15-2-4-16(5-3-15)23-22-13-12-21-11-10-20-9-8-19-7-6-17-14-18/h2-5,14H,6-13H2,1H3,(H,17,18)
InChIKeyVYDNRZGLWJAWLZ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.81
Rot. Bonds15

About N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide

N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide (PubChem CID 142403236) has the molecular formula C16H25NO5S and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide
PubChem CID142403236
Molecular FormulaC16H25NO5S
Molecular Weight343.44 g/mol
Exact Mass343.15
IUPAC NameN-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide
SMILESCc1ccc(SOCCOCCOCCOCCNC=O)cc1
InChIInChI=1S/C16H25NO5S/c1-15-2-4-16(5-3-15)23-22-13-12-21-11-10-20-9-8-19-7-6-17-14-18/h2-5,14H,6-13H2,1H3,(H,17,18)
InChIKeyVYDNRZGLWJAWLZ-UHFFFAOYSA-N
XLogP1.81
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide with MolForge

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Related Compounds

2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol
CID 142608079
1-(3,3-difluoropropoxysulfanyl)-4-methylbenzene
CID 163396766
(4-methylphenyl)sulfanyl formate
CID 90971780
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
ethane;2-methyl-4-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethyl]-3-[(Z)-prop-1-enyl]-1,4-benzodithiin-4-ium
CID 172575708
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
tert-butyl N-[2-methyl-5-(4-methylphenyl)sulfanyloxypentan-2-yl]carbamate
CID 170111031
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
1-methyl-4-pentadec-14-ynoxysulfanylbenzene
CID 162744447
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
CID 166149013
2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethylamino]ethoxy]ethyl 4-methylbenzenesulfonate
CID 15760434

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide (CID 142403236) is N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide is Cc1ccc(SOCCOCCOCCOCCNC=O)cc1.
What is the InChIKey of N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide?
The InChIKey is VYDNRZGLWJAWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5S/c1-15-2-4-16(5-3-15)23-22-13-12-21-11-10-20-9-8-19-7-6-17-14-18/h2-5,14H,6-13H2,1H3,(H,17,18).
What are the key properties of N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide?
N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide has a molecular weight of 343.44 g/mol, XLogP of 1.81, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide is sourced from PubChem (CID 142403236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).