3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

C19H23N3O4S2 — CID 24682704

IUPAC3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)s1
InChIInChI=1S/C19H23N3O4S2/c1-12-6-7-16(27-12)28(25,26)22-10-8-21(9-11-22)19(24)18-13(2)17-14(20-18)4-3-5-15(17)23/h6-7,20H,3-5,8-11H2,1-2H3
InChIKeyDALKKWKXUOVXCK-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.36
Rot. Bonds3

About 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one (PubChem CID 24682704) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
PubChem CID24682704
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)s1
InChIInChI=1S/C19H23N3O4S2/c1-12-6-7-16(27-12)28(25,26)22-10-8-21(9-11-22)19(24)18-13(2)17-14(20-18)4-3-5-15(17)23/h6-7,20H,3-5,8-11H2,1-2H3
InChIKeyDALKKWKXUOVXCK-UHFFFAOYSA-N
XLogP2.36
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 31137344
3-methyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24545327
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 32522716
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 17472682
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246
1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 33049487
3-methyl-2-[4-(2-nitrophenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 38504479
3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24671510
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134006212
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one (CID 24682704) is 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)s1.
What is the InChIKey of 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is DALKKWKXUOVXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-12-6-7-16(27-12)28(25,26)22-10-8-21(9-11-22)19(24)18-13(2)17-14(20-18)4-3-5-15(17)23/h6-7,20H,3-5,8-11H2,1-2H3.
What are the key properties of 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 421.54 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 24682704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).