2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

C18H28ClN3O3S — CID 53278155

IUPAC2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)C1
InChIInChI=1S/C18H28ClN3O3S/c1-14-6-4-10-22(13-14)11-5-9-20-18(23)16-8-7-15(12-17(16)19)21(2)26(3,24)25/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,23)
InChIKeyQLFJXDWVJRDASF-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.59
Rot. Bonds7

About 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 53278155) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID53278155
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)C1
InChIInChI=1S/C18H28ClN3O3S/c1-14-6-4-10-22(13-14)11-5-9-20-18(23)16-8-7-15(12-17(16)19)21(2)26(3,24)25/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,23)
InChIKeyQLFJXDWVJRDASF-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.59
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-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55765667
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 53278229
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 51948398
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 100727602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (CID 53278155) is 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is CC1CCCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)C1.
What is the InChIKey of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is QLFJXDWVJRDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-14-6-4-10-22(13-14)11-5-9-20-18(23)16-8-7-15(12-17(16)19)21(2)26(3,24)25/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,23).
What are the key properties of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 401.96 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 53278155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).