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

C17H20ClN3O3S — CID 113140036

IUPACN-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-15-6-9-19-10-7-15)11-8-17(22)20-12-14-2-4-16(18)5-3-14/h2-7,9-10H,8,11-13H2,1H3,(H,20,22)
InChIKeyJLOYPFCFAYVWNP-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.20
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 113140036) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
PubChem CID113140036
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-15-6-9-19-10-7-15)11-8-17(22)20-12-14-2-4-16(18)5-3-14/h2-7,9-10H,8,11-13H2,1H3,(H,20,22)
InChIKeyJLOYPFCFAYVWNP-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

3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
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-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113147492

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (CID 113140036) is N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)Cc1ccncc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is JLOYPFCFAYVWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-15-6-9-19-10-7-15)11-8-17(22)20-12-14-2-4-16(18)5-3-14/h2-7,9-10H,8,11-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
N-[(4-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-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 113140036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).