2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C18H28ClN3O3S — CID 27743901

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-15-8-12-22(13-9-15)11-3-10-20-18(23)14-21(2)26(24,25)17-6-4-16(19)5-7-17/h4-7,15H,3,8-14H2,1-2H3,(H,20,23)
InChIKeyQCRGWUXSNLFVDR-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.20
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 27743901) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID27743901
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-15-8-12-22(13-9-15)11-3-10-20-18(23)14-21(2)26(24,25)17-6-4-16(19)5-7-17/h4-7,15H,3,8-14H2,1-2H3,(H,20,23)
InChIKeyQCRGWUXSNLFVDR-UHFFFAOYSA-N
XLogP2.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 94876787
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 95908806
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 2173859
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968372
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 60556146
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100796959
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41438126
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 30273469

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 27743901) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is QCRGWUXSNLFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-15-8-12-22(13-9-15)11-3-10-20-18(23)14-21(2)26(24,25)17-6-4-16(19)5-7-17/h4-7,15H,3,8-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 401.96 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 27743901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).