2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide

C14H23N3O3S — CID 79185012

IUPAC2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-10-16-14(18)11(2)17-21(19,20)13-6-4-12(5-7-13)8-9-15/h4-7,11,17H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeySFOBWFMKCDKJOI-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.38
Rot. Bonds8

About 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide

2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide (PubChem CID 79185012) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
PubChem CID79185012
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-10-16-14(18)11(2)17-21(19,20)13-6-4-12(5-7-13)8-9-15/h4-7,11,17H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeySFOBWFMKCDKJOI-UHFFFAOYSA-N
XLogP0.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
CID 8800833
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-propylpropanamide
CID 61250492
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide (CID 79185012) is 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide?
The InChIKey is SFOBWFMKCDKJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-10-16-14(18)11(2)17-21(19,20)13-6-4-12(5-7-13)8-9-15/h4-7,11,17H,3,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide?
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 79185012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).