N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide

C21H31ClN2O4S — CID 67169119

IUPACN-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)C1CCCC1)NCC1CN(Cc2cccc(Cl)c2)CCO1
InChIInChI=1S/C21H31ClN2O4S/c22-18-6-3-5-17(13-18)15-24-10-11-28-19(16-24)14-23-21(25)9-4-12-29(26,27)20-7-1-2-8-20/h3,5-6,13,19-20H,1-2,4,7-12,14-16H2,(H,23,25)
InChIKeySYBYLLCMNGJGCN-UHFFFAOYSA-N
MW443.01 g/mol
LogP2.79
Rot. Bonds9

About N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide

N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide (PubChem CID 67169119) has the molecular formula C21H31ClN2O4S and a molecular weight of 443.01 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide
PubChem CID67169119
Molecular FormulaC21H31ClN2O4S
Molecular Weight443.01 g/mol
Exact Mass442.17
IUPAC NameN-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)C1CCCC1)NCC1CN(Cc2cccc(Cl)c2)CCO1
InChIInChI=1S/C21H31ClN2O4S/c22-18-6-3-5-17(13-18)15-24-10-11-28-19(16-24)14-23-21(25)9-4-12-29(26,27)20-7-1-2-8-20/h3,5-6,13,19-20H,1-2,4,7-12,14-16H2,(H,23,25)
InChIKeySYBYLLCMNGJGCN-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.01
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide 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

4-cyclopentylsulfanyl-N-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]butanamide
CID 67167812
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997199
CID 59866910
CID 59866910
1-cyclohexyl-3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10272298
1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10278623
3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
CID 39460836
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide?
The IUPAC name of N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide (CID 67169119) is N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide is O=C(CCCS(=O)(=O)C1CCCC1)NCC1CN(Cc2cccc(Cl)c2)CCO1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide?
The InChIKey is SYBYLLCMNGJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O4S/c22-18-6-3-5-17(13-18)15-24-10-11-28-19(16-24)14-23-21(25)9-4-12-29(26,27)20-7-1-2-8-20/h3,5-6,13,19-20H,1-2,4,7-12,14-16H2,(H,23,25).
What are the key properties of N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide?
N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide has a molecular weight of 443.01 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-4-cyclopentylsulfonylbutanamide is sourced from PubChem (CID 67169119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).