2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C25H34ClN3O3S — CID 46579609

IUPAC2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC1CCN(Cc2ccc(CNC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3Cl)cc2)CC1
InChIInChI=1S/C25H34ClN3O3S/c1-18(2)28(4)33(31,32)22-9-10-24(26)23(15-22)25(30)27-16-20-5-7-21(8-6-20)17-29-13-11-19(3)12-14-29/h5-10,15,18-19H,11-14,16-17H2,1-4H3,(H,27,30)
InChIKeyKJFCTCDALRLNFD-UHFFFAOYSA-N
MW492.09 g/mol
LogP4.53
Rot. Bonds8

About 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 46579609) has the molecular formula C25H34ClN3O3S and a molecular weight of 492.09 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID46579609
Molecular FormulaC25H34ClN3O3S
Molecular Weight492.09 g/mol
Exact Mass491.20
IUPAC Name2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC1CCN(Cc2ccc(CNC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3Cl)cc2)CC1
InChIInChI=1S/C25H34ClN3O3S/c1-18(2)28(4)33(31,32)22-9-10-24(26)23(15-22)25(30)27-16-20-5-7-21(8-6-20)17-29-13-11-19(3)12-14-29/h5-10,15,18-19H,11-14,16-17H2,1-4H3,(H,27,30)
InChIKeyKJFCTCDALRLNFD-UHFFFAOYSA-N
XLogP4.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.09
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46470054
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 36543274
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767783
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
5-(azepan-1-ylsulfonyl)-2-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767784
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2-chloro-N-[3-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxobutan-2-yl]benzamide
CID 55567492
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9304586
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 46579609) is 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is CC1CCN(Cc2ccc(CNC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is KJFCTCDALRLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O3S/c1-18(2)28(4)33(31,32)22-9-10-24(26)23(15-22)25(30)27-16-20-5-7-21(8-6-20)17-29-13-11-19(3)12-14-29/h5-10,15,18-19H,11-14,16-17H2,1-4H3,(H,27,30).
What are the key properties of 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 492.09 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 46579609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).