N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide

C25H30FN3O3S — CID 42862616

IUPACN-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC2CN(C(=S)Nc3ccc(F)cc3)CCO2)C2CCCC2)cc1
InChIInChI=1S/C25H30FN3O3S/c1-31-22-12-6-18(7-13-22)24(30)29(21-4-2-3-5-21)17-23-16-28(14-15-32-23)25(33)27-20-10-8-19(26)9-11-20/h6-13,21,23H,2-5,14-17H2,1H3,(H,27,33)
InChIKeyTWOCSMLILLXZFB-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.32
Rot. Bonds6

About N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide

N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide (PubChem CID 42862616) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
PubChem CID42862616
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC NameN-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC2CN(C(=S)Nc3ccc(F)cc3)CCO2)C2CCCC2)cc1
InChIInChI=1S/C25H30FN3O3S/c1-31-22-12-6-18(7-13-22)24(30)29(21-4-2-3-5-21)17-23-16-28(14-15-32-23)25(33)27-20-10-8-19(26)9-11-20/h6-13,21,23H,2-5,14-17H2,1H3,(H,27,33)
InChIKeyTWOCSMLILLXZFB-UHFFFAOYSA-N
XLogP4.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide 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-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-(cyclopropylmethyl)-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 46060412
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 46060405
N-cyclopentyl-N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862547
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
N-[1-(4-fluorobenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23795706
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-(4-fluorophenyl)-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]morpholine-4-carbothioamide
CID 46059468
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide (CID 42862616) is N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)N(CC2CN(C(=S)Nc3ccc(F)cc3)CCO2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is TWOCSMLILLXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-31-22-12-6-18(7-13-22)24(30)29(21-4-2-3-5-21)17-23-16-28(14-15-32-23)25(33)27-20-10-8-19(26)9-11-20/h6-13,21,23H,2-5,14-17H2,1H3,(H,27,33).
What are the key properties of N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide?
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 42862616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).