3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide

C14H21ClN2O3S — CID 113139464

IUPAC3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)16-14(18)8-9-17(21(3,19)20)10-12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyOAUGKGNFQXRVFK-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.02
Rot. Bonds7

About 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide

3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 113139464) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
PubChem CID113139464
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)16-14(18)8-9-17(21(3,19)20)10-12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyOAUGKGNFQXRVFK-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
CID 113139525
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-cyanophenyl)propanamide
CID 113139529
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide (CID 113139464) is 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is OAUGKGNFQXRVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(2)16-14(18)8-9-17(21(3,19)20)10-12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide?
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 332.85 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113139464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).