2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide

C12H18N4O4S — CID 62923333

IUPAC2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCC(N)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1
InChIInChI=1S/C12H18N4O4S/c1-8(13)9-2-4-10(5-3-9)21(19,20)16(6-11(14)17)7-12(15)18/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyQZCATTOBPWTXFR-UHFFFAOYSA-N
MW314.37 g/mol
LogP-1.33
Rot. Bonds7

About 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide

2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62923333) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62923333
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCC(N)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1
InChIInChI=1S/C12H18N4O4S/c1-8(13)9-2-4-10(5-3-9)21(19,20)16(6-11(14)17)7-12(15)18/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyQZCATTOBPWTXFR-UHFFFAOYSA-N
XLogP-1.33
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447802
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid
CID 5179933
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
2-[(4-propan-2-ylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274625
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide (CID 62923333) is 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide is CC(N)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1.
What is the InChIKey of 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is QZCATTOBPWTXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8(13)9-2-4-10(5-3-9)21(19,20)16(6-11(14)17)7-12(15)18/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 314.37 g/mol, XLogP of -1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62923333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).