N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

C15H22FN3O2S — CID 86609289

IUPACN-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESNC(=S)NCCCCCNC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2S/c16-13-6-4-12(5-7-13)10-21-11-14(20)18-8-2-1-3-9-19-15(17)22/h4-7H,1-3,8-11H2,(H,18,20)(H3,17,19,22)
InChIKeyYMILRNUAWGQVKQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.46
Rot. Bonds10

About N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 86609289) has the molecular formula C15H22FN3O2S and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID86609289
Molecular FormulaC15H22FN3O2S
Molecular Weight327.42 g/mol
Exact Mass327.14
IUPAC NameN-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESNC(=S)NCCCCCNC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2S/c16-13-6-4-12(5-7-13)10-21-11-14(20)18-8-2-1-3-9-19-15(17)22/h4-7H,1-3,8-11H2,(H,18,20)(H3,17,19,22)
InChIKeyYMILRNUAWGQVKQ-UHFFFAOYSA-N
XLogP1.46
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 143299330
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 87804784
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-butyl-2-phenylmethoxyacetamide
CID 126717674
N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine
CID 70323281
6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
CID 10595892
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042

Frequently Asked Questions

What is the IUPAC name of N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 86609289) is N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is NC(=S)NCCCCCNC(=O)COCc1ccc(F)cc1.
What is the InChIKey of N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is YMILRNUAWGQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2S/c16-13-6-4-12(5-7-13)10-21-11-14(20)18-8-2-1-3-9-19-15(17)22/h4-7H,1-3,8-11H2,(H,18,20)(H3,17,19,22).
What are the key properties of N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 327.42 g/mol, XLogP of 1.46, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 86609289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).