2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide

C14H20N4O3S — CID 138723570

IUPAC2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
SMILESC/C(N)=N\CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C14H20N4O3S/c1-9-3-6-12(22(20,21)18-11-4-5-11)7-13(9)17-14(19)8-16-10(2)15/h3,6-7,11,18H,4-5,8H2,1-2H3,(H2,15,16)(H,17,19)
InChIKeyRYUDWFZROHEHEJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.75
Rot. Bonds6

About 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide

2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 138723570) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID138723570
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
SMILESC/C(N)=N\CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C14H20N4O3S/c1-9-3-6-12(22(20,21)18-11-4-5-11)7-13(9)17-14(19)8-16-10(2)15/h3,6-7,11,18H,4-5,8H2,1-2H3,(H2,15,16)(H,17,19)
InChIKeyRYUDWFZROHEHEJ-UHFFFAOYSA-N
XLogP0.75
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
CID 24585775
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide (CID 138723570) is 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide is C/C(N)=N\CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1C.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is RYUDWFZROHEHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9-3-6-12(22(20,21)18-11-4-5-11)7-13(9)17-14(19)8-16-10(2)15/h3,6-7,11,18H,4-5,8H2,1-2H3,(H2,15,16)(H,17,19).
What are the key properties of 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 138723570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).