2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide

C13H19N3O3S — CID 60945147

IUPAC2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC2CC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-20(18,19)16-12-7-5-11(6-8-12)15-13(17)9-14-10-3-4-10/h5-8,10,14,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyPEFRKLAFSYQMLW-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.14
Rot. Bonds7

About 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide

2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide (PubChem CID 60945147) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
PubChem CID60945147
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC2CC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-20(18,19)16-12-7-5-11(6-8-12)15-13(17)9-14-10-3-4-10/h5-8,10,14,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyPEFRKLAFSYQMLW-UHFFFAOYSA-N
XLogP1.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
2-[(4-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 28579743
2-(cyclopropylamino)-N-(4-ethoxyphenyl)acetamide;hydrochloride
CID 18778020
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707
2-[(4-ethylcyclohexyl)amino]-N-phenylacetamide
CID 60958245
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
3-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide (CID 60945147) is 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide?
The InChIKey is PEFRKLAFSYQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-20(18,19)16-12-7-5-11(6-8-12)15-13(17)9-14-10-3-4-10/h5-8,10,14,16H,2-4,9H2,1H3,(H,15,17).
What are the key properties of 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide?
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 60945147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).