1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide

C21H26N4O4S — CID 24563489

IUPAC1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc1C(N)=O
InChIInChI=1S/C21H26N4O4S/c1-23-14-18(13-19(23)20(22)26)30(28,29)25-10-8-24(9-11-25)21(27)17-7-6-15-4-2-3-5-16(15)12-17/h6-7,12-14H,2-5,8-11H2,1H3,(H2,22,26)
InChIKeyFESXGEITTLHRTB-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.15
Rot. Bonds4

About 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide

1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide (PubChem CID 24563489) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide
PubChem CID24563489
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc1C(N)=O
InChIInChI=1S/C21H26N4O4S/c1-23-14-18(13-19(23)20(22)26)30(28,29)25-10-8-24(9-11-25)21(27)17-7-6-15-4-2-3-5-16(15)12-17/h6-7,12-14H,2-5,8-11H2,1H3,(H2,22,26)
InChIKeyFESXGEITTLHRTB-UHFFFAOYSA-N
XLogP1.15
TPSA105.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9368898
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9326993
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
4-[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 24563506
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
CID 110810347
(4-fluorophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 8698232
1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 30291355
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
(4-methoxy-3-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 25479814
2,3-dihydro-1H-inden-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9011607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide (CID 24563489) is 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The InChIKey is FESXGEITTLHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-23-14-18(13-19(23)20(22)26)30(28,29)25-10-8-24(9-11-25)21(27)17-7-6-15-4-2-3-5-16(15)12-17/h6-7,12-14H,2-5,8-11H2,1H3,(H2,22,26).
What are the key properties of 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 24563489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).