N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide

C23H29N3O4S — CID 24682845

IUPACN-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-16(2)18-7-11-21(12-8-18)31(29,30)25-14-13-22(27)24-15-17-3-9-20(10-4-17)26-23(28)19-5-6-19/h3-4,7-12,16,19,25H,5-6,13-15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyXDOFZEYEQAYPDI-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.14
Rot. Bonds10

About N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24682845) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24682845
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-16(2)18-7-11-21(12-8-18)31(29,30)25-14-13-22(27)24-15-17-3-9-20(10-4-17)26-23(28)19-5-6-19/h3-4,7-12,16,19,25H,5-6,13-15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyXDOFZEYEQAYPDI-UHFFFAOYSA-N
XLogP3.14
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24549159
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 24682845) is N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide is CC(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XDOFZEYEQAYPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16(2)18-7-11-21(12-8-18)31(29,30)25-14-13-22(27)24-15-17-3-9-20(10-4-17)26-23(28)19-5-6-19/h3-4,7-12,16,19,25H,5-6,13-15H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24682845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).