4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

C26H40BrN5O4S — CID 68562625

IUPAC4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(C)N1CCC(Oc2cc3cc(C(=O)N4CCN(S(=O)(=O)N(C)C)CC4)n(C(C)C)c3cc2Br)CC1
InChIInChI=1S/C26H40BrN5O4S/c1-18(2)29-9-7-21(8-10-29)36-25-16-20-15-24(32(19(3)4)23(20)17-22(25)27)26(33)30-11-13-31(14-12-30)37(34,35)28(5)6/h15-19,21H,7-14H2,1-6H3
InChIKeyBQGQUOYCXIWBRW-UHFFFAOYSA-N
MW598.61 g/mol
LogP3.80
Rot. Bonds7

About 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 68562625) has the molecular formula C26H40BrN5O4S and a molecular weight of 598.61 g/mol. Its IUPAC name is 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID68562625
Molecular FormulaC26H40BrN5O4S
Molecular Weight598.61 g/mol
Exact Mass597.20
IUPAC Name4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(C)N1CCC(Oc2cc3cc(C(=O)N4CCN(S(=O)(=O)N(C)C)CC4)n(C(C)C)c3cc2Br)CC1
InChIInChI=1S/C26H40BrN5O4S/c1-18(2)29-9-7-21(8-10-29)36-25-16-20-15-24(32(19(3)4)23(20)17-22(25)27)26(33)30-11-13-31(14-12-30)37(34,35)28(5)6/h15-19,21H,7-14H2,1-6H3
InChIKeyBQGQUOYCXIWBRW-UHFFFAOYSA-N
XLogP3.80
TPSA78.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 68562625) is 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCN(S(=O)(=O)N(C)C)CC4)n(C(C)C)c3cc2Br)CC1.
What is the InChIKey of 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is BQGQUOYCXIWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40BrN5O4S/c1-18(2)29-9-7-21(8-10-29)36-25-16-20-15-24(32(19(3)4)23(20)17-22(25)27)26(33)30-11-13-31(14-12-30)37(34,35)28(5)6/h15-19,21H,7-14H2,1-6H3.
What are the key properties of 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 598.61 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 68562625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).