N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C26H30FN3O3S2 — CID 5164570

IUPACN-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C26H30FN3O3S2/c1-33-15-4-14-29(26(32)28-22-10-12-23(34-2)13-11-22)19-25(31)30(18-24-5-3-16-35-24)17-20-6-8-21(27)9-7-20/h3,5-13,16H,4,14-15,17-19H2,1-2H3,(H,28,32)
InChIKeySGAUZYGFIGWJDF-UHFFFAOYSA-N
MW515.68 g/mol
LogP5.71
Rot. Bonds12

About N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide

N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5164570) has the molecular formula C26H30FN3O3S2 and a molecular weight of 515.68 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5164570
Molecular FormulaC26H30FN3O3S2
Molecular Weight515.68 g/mol
Exact Mass515.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C26H30FN3O3S2/c1-33-15-4-14-29(26(32)28-22-10-12-23(34-2)13-11-22)19-25(31)30(18-24-5-3-16-35-24)17-20-6-8-21(27)9-7-20/h3,5-13,16H,4,14-15,17-19H2,1-2H3,(H,28,32)
InChIKeySGAUZYGFIGWJDF-UHFFFAOYSA-N
XLogP5.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide 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

2-[(4-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5001282
2-[(3,5-dimethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4153171
2-[acetyl(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42665019
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4205844
N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4640530
2-[(3-chloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4055377
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 4109622
2-[(3-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4172186
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 4517686
2-[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4526852
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4126758
N-benzyl-2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3943687

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 5164570) is N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide is COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Nc1ccc(SC)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SGAUZYGFIGWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3S2/c1-33-15-4-14-29(26(32)28-22-10-12-23(34-2)13-11-22)19-25(31)30(18-24-5-3-16-35-24)17-20-6-8-21(27)9-7-20/h3,5-13,16H,4,14-15,17-19H2,1-2H3,(H,28,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 515.68 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5164570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).