N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide

C27H37FN2O2S — CID 4690899

IUPACN-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C1CC1
InChIInChI=1S/C27H37FN2O2S/c1-3-4-5-6-7-8-9-26(31)30(24-14-15-24)20-27(32)29(19-25-21(2)16-17-33-25)18-22-10-12-23(28)13-11-22/h10-13,16-17,24H,3-9,14-15,18-20H2,1-2H3
InChIKeyXWJSRHUAGCFHHV-UHFFFAOYSA-N
MW472.67 g/mol
LogP6.47
Rot. Bonds14

About N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide

N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide (PubChem CID 4690899) has the molecular formula C27H37FN2O2S and a molecular weight of 472.67 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide
PubChem CID4690899
Molecular FormulaC27H37FN2O2S
Molecular Weight472.67 g/mol
Exact Mass472.26
IUPAC NameN-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C1CC1
InChIInChI=1S/C27H37FN2O2S/c1-3-4-5-6-7-8-9-26(31)30(24-14-15-24)20-27(32)29(19-25-21(2)16-17-33-25)18-22-10-12-23(28)13-11-22/h10-13,16-17,24H,3-9,14-15,18-20H2,1-2H3
InChIKeyXWJSRHUAGCFHHV-UHFFFAOYSA-N
XLogP6.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide 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

N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)heptanamide
CID 24717931
N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 1028646
2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4578381
4-tert-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 5165582
2-[cyclopropyl-[(2-fluorophenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031220
2-[cyclopropyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3620471
2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031230
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 3602084
2-[cyclohexyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4574944
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopropanecarboxamide
CID 3586121
N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4116167
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 1028621

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide?
The IUPAC name of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide (CID 4690899) is N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide?
The InChIKey is XWJSRHUAGCFHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O2S/c1-3-4-5-6-7-8-9-26(31)30(24-14-15-24)20-27(32)29(19-25-21(2)16-17-33-25)18-22-10-12-23(28)13-11-22/h10-13,16-17,24H,3-9,14-15,18-20H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide?
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide has a molecular weight of 472.67 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]nonanamide is sourced from PubChem (CID 4690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).