N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

C20H22ClN3O4S — CID 46254029

IUPACN-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H22ClN3O4S/c1-2-20(26)24-12-10-14-13-17(7-8-18(14)24)29(27,28)22-11-9-19(25)23-16-5-3-15(21)4-6-16/h3-8,13,22H,2,9-12H2,1H3,(H,23,25)
InChIKeyVCNWYDVOCYUQAI-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.95
Rot. Bonds7

About N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (PubChem CID 46254029) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
PubChem CID46254029
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC NameN-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H22ClN3O4S/c1-2-20(26)24-12-10-14-13-17(7-8-18(14)24)29(27,28)22-11-9-19(25)23-16-5-3-15(21)4-6-16/h3-8,13,22H,2,9-12H2,1H3,(H,23,25)
InChIKeyVCNWYDVOCYUQAI-UHFFFAOYSA-N
XLogP2.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
CID 15997794
N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100588228
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
CID 46361191
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
CID 46253964
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 46253982
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (CID 46254029) is N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The InChIKey is VCNWYDVOCYUQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-2-20(26)24-12-10-14-13-17(7-8-18(14)24)29(27,28)22-11-9-19(25)23-16-5-3-15(21)4-6-16/h3-8,13,22H,2,9-12H2,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide has a molecular weight of 435.93 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 46254029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).