2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C31H37ClN4O4S — CID 46908987

IUPAC2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCn3cccc3C2CC(=O)NC2CCc3cc(CN4CCOCC4)ccc3C2)cc1Cl
InChIInChI=1S/C31H37ClN4O4S/c1-22-4-9-27(19-28(22)32)41(38,39)36-12-11-35-10-2-3-29(35)30(36)20-31(37)33-26-8-7-24-17-23(5-6-25(24)18-26)21-34-13-15-40-16-14-34/h2-6,9-10,17,19,26,30H,7-8,11-16,18,20-21H2,1H3,(H,33,37)
InChIKeyHEZPBCJFLJIMHS-UHFFFAOYSA-N
MW597.18 g/mol
LogP4.09
Rot. Bonds7

About 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 46908987) has the molecular formula C31H37ClN4O4S and a molecular weight of 597.18 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID46908987
Molecular FormulaC31H37ClN4O4S
Molecular Weight597.18 g/mol
Exact Mass596.22
IUPAC Name2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCn3cccc3C2CC(=O)NC2CCc3cc(CN4CCOCC4)ccc3C2)cc1Cl
InChIInChI=1S/C31H37ClN4O4S/c1-22-4-9-27(19-28(22)32)41(38,39)36-12-11-35-10-2-3-29(35)30(36)20-31(37)33-26-8-7-24-17-23(5-6-25(24)18-26)21-34-13-15-40-16-14-34/h2-6,9-10,17,19,26,30H,7-8,11-16,18,20-21H2,1H3,(H,33,37)
InChIKeyHEZPBCJFLJIMHS-UHFFFAOYSA-N
XLogP4.09
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide with MolForge

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Related Compounds

N-[6-(methylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]acetamide
CID 67135178
2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]acetic acid
CID 59486382
N-[6-[(2,2-dimethylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]acetamide
CID 67135077
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(2R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11330421
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]ethanone
CID 67135711
2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 69077821
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
2-[1-(3-chloro-4-fluorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11319150
1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
CID 69193657
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031
2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271462
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 46908987) is 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCn3cccc3C2CC(=O)NC2CCc3cc(CN4CCOCC4)ccc3C2)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is HEZPBCJFLJIMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN4O4S/c1-22-4-9-27(19-28(22)32)41(38,39)36-12-11-35-10-2-3-29(35)30(36)20-31(37)33-26-8-7-24-17-23(5-6-25(24)18-26)21-34-13-15-40-16-14-34/h2-6,9-10,17,19,26,30H,7-8,11-16,18,20-21H2,1H3,(H,33,37).
What are the key properties of 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 597.18 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]-N-[6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 46908987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).