N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide

C15H22N2O3S — CID 113138741

IUPACN-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccccc1CN(CCC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-12-5-3-4-6-13(12)11-17(21(2,19)20)10-9-15(18)16-14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)
InChIKeyKFCUWITXNAEEPM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.43
Rot. Bonds7

About N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide

N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138741) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138741
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccccc1CN(CCC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-12-5-3-4-6-13(12)11-17(21(2,19)20)10-9-15(18)16-14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)
InChIKeyKFCUWITXNAEEPM-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139225
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138741) is N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is Cc1ccccc1CN(CCC(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is KFCUWITXNAEEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-5-3-4-6-13(12)11-17(21(2,19)20)10-9-15(18)16-14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).