N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide

C18H28N2O3S — CID 78785842

IUPACN-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)CCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H28N2O3S/c1-4-11-20(13-16-7-8-16)18(21)9-10-19-24(22,23)17-12-14(2)5-6-15(17)3/h5-6,12,16,19H,4,7-11,13H2,1-3H3
InChIKeyDOVNFQIRCLJNGY-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.62
Rot. Bonds9

About N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide

N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 78785842) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID78785842
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)CCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H28N2O3S/c1-4-11-20(13-16-7-8-16)18(21)9-10-19-24(22,23)17-12-14(2)5-6-15(17)3/h5-6,12,16,19H,4,7-11,13H2,1-3H3
InChIKeyDOVNFQIRCLJNGY-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
CID 30948744
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-cyclohexyl-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 51274726
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
CID 47159796
N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 55350913
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113052189
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 46822994

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide (CID 78785842) is N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide is CCCN(CC1CC1)C(=O)CCNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is DOVNFQIRCLJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-11-20(13-16-7-8-16)18(21)9-10-19-24(22,23)17-12-14(2)5-6-15(17)3/h5-6,12,16,19H,4,7-11,13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 352.50 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 78785842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).