N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

C17H20ClN3O3S — CID 113140035

IUPACN-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccccc1Cl)Cc1ccncc1
InChIInChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-14-6-9-19-10-7-14)11-8-17(22)20-12-15-4-2-3-5-16(15)18/h2-7,9-10H,8,11-13H2,1H3,(H,20,22)
InChIKeyHXOQEKAPESNPCN-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.20
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 113140035) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
PubChem CID113140035
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccccc1Cl)Cc1ccncc1
InChIInChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-14-6-9-19-10-7-14)11-8-17(22)20-12-15-4-2-3-5-16(15)18/h2-7,9-10H,8,11-13H2,1H3,(H,20,22)
InChIKeyHXOQEKAPESNPCN-UHFFFAOYSA-N
XLogP2.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357
3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139706
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (CID 113140035) is N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccccc1Cl)Cc1ccncc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is HXOQEKAPESNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-14-6-9-19-10-7-14)11-8-17(22)20-12-15-4-2-3-5-16(15)18/h2-7,9-10H,8,11-13H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide has a molecular weight of 381.89 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 N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 113140035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).