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

C21H28N4O3S — CID 95806360

IUPACN-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
SMILESCc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)n[nH]1
InChIInChI=1S/C21H28N4O3S/c1-14-11-17(24-23-14)13-25(2)29(27,28)18-9-7-15-8-10-20(19(15)12-18)22-21(26)16-5-3-4-6-16/h7,9,11-12,16,20H,3-6,8,10,13H2,1-2H3,(H,22,26)(H,23,24)/t20-/m0/s1
InChIKeyYAIOXILLAHMKNJ-FQEVSTJZSA-N
MW416.55 g/mol
LogP2.83
Rot. Bonds6

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

N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide (PubChem CID 95806360) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 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]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
PubChem CID95806360
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
SMILESCc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)n[nH]1
InChIInChI=1S/C21H28N4O3S/c1-14-11-17(24-23-14)13-25(2)29(27,28)18-9-7-15-8-10-20(19(15)12-18)22-21(26)16-5-3-4-6-16/h7,9,11-12,16,20H,3-6,8,10,13H2,1-2H3,(H,22,26)(H,23,24)/t20-/m0/s1
InChIKeyYAIOXILLAHMKNJ-FQEVSTJZSA-N
XLogP2.83
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-((3,4-dimethylphenyl)sulfonyl)piperidin-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 92107977
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 16306619
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 16377202
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 9508921
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 9508922
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 16345245
5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 53502974
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738737
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 55789612
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 55792115
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60496286
5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 60509215

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]cyclopentanecarboxamide?
The IUPAC name of N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide (CID 95806360) is N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide.
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]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide is Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)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]cyclopentanecarboxamide?
The InChIKey is YAIOXILLAHMKNJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-14-11-17(24-23-14)13-25(2)29(27,28)18-9-7-15-8-10-20(19(15)12-18)22-21(26)16-5-3-4-6-16/h7,9,11-12,16,20H,3-6,8,10,13H2,1-2H3,(H,22,26)(H,23,24)/t20-/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]cyclopentanecarboxamide?
N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.83, 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]cyclopentanecarboxamide is sourced from PubChem (CID 95806360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).