N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide

C15H25N3O3S — CID 126830232

IUPACN-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide
SMILESCCc1ccccc1S(=O)(=O)NC(C)C(=O)NCCN(C)C
InChIInChI=1S/C15H25N3O3S/c1-5-13-8-6-7-9-14(13)22(20,21)17-12(2)15(19)16-10-11-18(3)4/h6-9,12,17H,5,10-11H2,1-4H3,(H,16,19)
InChIKeyMVNUIRDNPKZFIJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.59
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide

N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide (PubChem CID 126830232) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide
PubChem CID126830232
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide
SMILESCCc1ccccc1S(=O)(=O)NC(C)C(=O)NCCN(C)C
InChIInChI=1S/C15H25N3O3S/c1-5-13-8-6-7-9-14(13)22(20,21)17-12(2)15(19)16-10-11-18(3)4/h6-9,12,17H,5,10-11H2,1-4H3,(H,16,19)
InChIKeyMVNUIRDNPKZFIJ-UHFFFAOYSA-N
XLogP0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 24543911
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55940266
N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106032301
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953589
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211
2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63198818
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide (CID 126830232) is N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide is CCc1ccccc1S(=O)(=O)NC(C)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide?
The InChIKey is MVNUIRDNPKZFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-13-8-6-7-9-14(13)22(20,21)17-12(2)15(19)16-10-11-18(3)4/h6-9,12,17H,5,10-11H2,1-4H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide?
N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide has a molecular weight of 327.45 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 126830232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).