2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate

C25H37NO4S — CID 67325585

IUPAC2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate
SMILESCC#CCCCCCCCCCCCSCC(=O)OCCNC(=O)c1ccccc1O
InChIInChI=1S/C25H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-21-24(28)30-19-18-26-25(29)22-16-13-14-17-23(22)27/h13-14,16-17,27H,4-12,15,18-21H2,1H3,(H,26,29)
InChIKeyQNNIMOSBVLPMLU-UHFFFAOYSA-N
MW447.64 g/mol
LogP5.32
Rot. Bonds17

About 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate

2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate (PubChem CID 67325585) has the molecular formula C25H37NO4S and a molecular weight of 447.64 g/mol. Its IUPAC name is 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate.

Molecular Properties

Compound Name2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate
PubChem CID67325585
Molecular FormulaC25H37NO4S
Molecular Weight447.64 g/mol
Exact Mass447.24
IUPAC Name2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate
SMILESCC#CCCCCCCCCCCCSCC(=O)OCCNC(=O)c1ccccc1O
InChIInChI=1S/C25H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-21-24(28)30-19-18-26-25(29)22-16-13-14-17-23(22)27/h13-14,16-17,27H,4-12,15,18-21H2,1H3,(H,26,29)
InChIKeyQNNIMOSBVLPMLU-UHFFFAOYSA-N
XLogP5.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.64
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate 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

3-amino-2-hydroxy-N-pent-3-ynylbenzamide
CID 116642602
2-hydroxy-5-[2-[(2-tetradec-12-ynylsulfanylacetyl)amino]ethylcarbamoylamino]benzoic acid
CID 67326284
2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide
CID 71257077
butyl 4-[(2-hydroxybenzoyl)amino]butanoate
CID 141205227
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
2-methoxy-N-pent-3-ynylbenzamide
CID 115977258
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-[(2-hydroxybenzoyl)amino]ethyl 2-docosa-4,7,10,13,16,19-hexaenylsulfanyl-2-ethylbutanoate
CID 71256835
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate?
The IUPAC name of 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate (CID 67325585) is 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate.
What is the SMILES notation for 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate?
The canonical SMILES for 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate is CC#CCCCCCCCCCCCSCC(=O)OCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate?
The InChIKey is QNNIMOSBVLPMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-21-24(28)30-19-18-26-25(29)22-16-13-14-17-23(22)27/h13-14,16-17,27H,4-12,15,18-21H2,1H3,(H,26,29).
What are the key properties of 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate?
2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate has a molecular weight of 447.64 g/mol, XLogP of 5.32, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxybenzoyl)amino]ethyl 2-tetradec-12-ynylsulfanylacetate is sourced from PubChem (CID 67325585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).