N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H26ClN3O3S2 — CID 119939738

IUPACN-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C16H25N3O3S2.ClH/c1-2-3-10-24(21,22)19-14-6-4-13(5-7-14)18-16(20)11-15-12-23-9-8-17-15;/h4-7,15,17,19H,2-3,8-12H2,1H3,(H,18,20);1H
InChIKeyIEYSVHFGQYVHPD-UHFFFAOYSA-N
MW407.99 g/mol
LogP2.68
Rot. Bonds8

About N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939738) has the molecular formula C16H26ClN3O3S2 and a molecular weight of 407.99 g/mol. Its IUPAC name is N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939738
Molecular FormulaC16H26ClN3O3S2
Molecular Weight407.99 g/mol
Exact Mass407.11
IUPAC NameN-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C16H25N3O3S2.ClH/c1-2-3-10-24(21,22)19-14-6-4-13(5-7-14)18-16(20)11-15-12-23-9-8-17-15;/h4-7,15,17,19H,2-3,8-12H2,1H3,(H,18,20);1H
InChIKeyIEYSVHFGQYVHPD-UHFFFAOYSA-N
XLogP2.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride 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-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800516
N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936668
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939738) is N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCCCS(=O)(=O)Nc1ccc(NC(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is IEYSVHFGQYVHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2.ClH/c1-2-3-10-24(21,22)19-14-6-4-13(5-7-14)18-16(20)11-15-12-23-9-8-17-15;/h4-7,15,17,19H,2-3,8-12H2,1H3,(H,18,20);1H.
What are the key properties of N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 407.99 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).