N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

C15H24ClN3O3S — CID 113138109

IUPACN-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24ClN3O3S/c1-18(2)10-11-19(23(3,21)22)9-8-15(20)17-12-13-4-6-14(16)7-5-13/h4-7H,8-12H2,1-3H3,(H,17,20)
InChIKeyANQUBYNPLPOGDF-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.17
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (PubChem CID 113138109) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
PubChem CID113138109
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24ClN3O3S/c1-18(2)10-11-19(23(3,21)22)9-8-15(20)17-12-13-4-6-14(16)7-5-13/h4-7H,8-12H2,1-3H3,(H,17,20)
InChIKeyANQUBYNPLPOGDF-UHFFFAOYSA-N
XLogP1.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138355

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (CID 113138109) is N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is CN(C)CCN(CCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The InChIKey is ANQUBYNPLPOGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S/c1-18(2)10-11-19(23(3,21)22)9-8-15(20)17-12-13-4-6-14(16)7-5-13/h4-7H,8-12H2,1-3H3,(H,17,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide has a molecular weight of 361.90 g/mol, XLogP of 1.17, 9 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-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).