1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide

C24H28N4O6S — CID 46361239

IUPAC1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H28N4O6S/c29-22(26-11-13-27(14-12-26)24(31)21-2-1-15-34-21)7-9-25-35(32,33)19-5-6-20-18(16-19)8-10-28(20)23(30)17-3-4-17/h1-2,5-6,15-17,25H,3-4,7-14H2
InChIKeyKBUHPQLNWWOLMD-UHFFFAOYSA-N
MW500.58 g/mol
LogP1.23
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46361239) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46361239
Molecular FormulaC24H28N4O6S
Molecular Weight500.58 g/mol
Exact Mass500.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H28N4O6S/c29-22(26-11-13-27(14-12-26)24(31)21-2-1-15-34-21)7-9-25-35(32,33)19-5-6-20-18(16-19)8-10-28(20)23(30)17-3-4-17/h1-2,5-6,15-17,25H,3-4,7-14H2
InChIKeyKBUHPQLNWWOLMD-UHFFFAOYSA-N
XLogP1.23
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 50806732
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 53025616
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 46361256

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide (CID 46361239) is 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KBUHPQLNWWOLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S/c29-22(26-11-13-27(14-12-26)24(31)21-2-1-15-34-21)7-9-25-35(32,33)19-5-6-20-18(16-19)8-10-28(20)23(30)17-3-4-17/h1-2,5-6,15-17,25H,3-4,7-14H2.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 500.58 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46361239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).