N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide

C22H28N4O4S — CID 55571147

IUPACN-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H28N4O4S/c1-14(2)26-31(29,30)20-11-9-17(10-12-20)24-21(27)15(3)23-18-5-4-6-19(13-18)25-22(28)16-7-8-16/h4-6,9-16,23,26H,7-8H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyJIWIIIVNVUBPRT-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.16
Rot. Bonds9

About N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 55571147) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
PubChem CID55571147
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H28N4O4S/c1-14(2)26-31(29,30)20-11-9-17(10-12-20)24-21(27)15(3)23-18-5-4-6-19(13-18)25-22(28)16-7-8-16/h4-6,9-16,23,26H,7-8H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyJIWIIIVNVUBPRT-UHFFFAOYSA-N
XLogP3.16
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39124674
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55684091
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55629961
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide (CID 55571147) is N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is JIWIIIVNVUBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-14(2)26-31(29,30)20-11-9-17(10-12-20)24-21(27)15(3)23-18-5-4-6-19(13-18)25-22(28)16-7-8-16/h4-6,9-16,23,26H,7-8H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 444.56 g/mol, XLogP of 3.16, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55571147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).