N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C22H24N4O3S — CID 95806358

IUPACN-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)n[nH]1
InChIInChI=1S/C22H24N4O3S/c1-15-12-18(25-24-15)14-26(2)30(28,29)19-10-8-16-9-11-21(20(16)13-19)23-22(27)17-6-4-3-5-7-17/h3-8,10,12-13,21H,9,11,14H2,1-2H3,(H,23,27)(H,24,25)/t21-/m0/s1
InChIKeyCXQXRGOBSXURFS-NRFANRHFSA-N
MW424.53 g/mol
LogP2.96
Rot. Bonds6

About N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 95806358) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID95806358
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)n[nH]1
InChIInChI=1S/C22H24N4O3S/c1-15-12-18(25-24-15)14-26(2)30(28,29)19-10-8-16-9-11-21(20(16)13-19)23-22(27)17-6-4-3-5-7-17/h3-8,10,12-13,21H,9,11,14H2,1-2H3,(H,23,27)(H,24,25)/t21-/m0/s1
InChIKeyCXQXRGOBSXURFS-NRFANRHFSA-N
XLogP2.96
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
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N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95806366
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
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N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
CID 3058670
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3879149
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122706686
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
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N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 95806358) is N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)n[nH]1.
What is the InChIKey of N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is CXQXRGOBSXURFS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-12-18(25-24-15)14-26(2)30(28,29)19-10-8-16-9-11-21(20(16)13-19)23-22(27)17-6-4-3-5-7-17/h3-8,10,12-13,21H,9,11,14H2,1-2H3,(H,23,27)(H,24,25)/t21-/m0/s1.
What are the key properties of N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 95806358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).