2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide

C20H26N4O4S — CID 92634815

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H]2CCc3ccc(S(=O)(=O)N4CCOCC4)cc32)n1
InChIInChI=1S/C20H26N4O4S/c1-14-11-15(2)24(22-14)13-20(25)21-19-6-4-16-3-5-17(12-18(16)19)29(26,27)23-7-9-28-10-8-23/h3,5,11-12,19H,4,6-10,13H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyMJDQMDUVISRMLJ-IBGZPJMESA-N
MW418.52 g/mol
LogP1.32
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 92634815) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID92634815
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H]2CCc3ccc(S(=O)(=O)N4CCOCC4)cc32)n1
InChIInChI=1S/C20H26N4O4S/c1-14-11-15(2)24(22-14)13-20(25)21-19-6-4-16-3-5-17(12-18(16)19)29(26,27)23-7-9-28-10-8-23/h3,5,11-12,19H,4,6-10,13H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyMJDQMDUVISRMLJ-IBGZPJMESA-N
XLogP1.32
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 110248692
4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide
CID 110248706
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90495021
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 30211712
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92710870
2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40943120
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4171240
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95620292
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide (CID 92634815) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide is Cc1cc(C)n(CC(=O)N[C@H]2CCc3ccc(S(=O)(=O)N4CCOCC4)cc32)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is MJDQMDUVISRMLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14-11-15(2)24(22-14)13-20(25)21-19-6-4-16-3-5-17(12-18(16)19)29(26,27)23-7-9-28-10-8-23/h3,5,11-12,19H,4,6-10,13H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 92634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).