N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide

C21H27N3O4S — CID 126469676

IUPACN-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCc1noc(C)c1CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21
InChIInChI=1S/C21H27N3O4S/c1-13-17(14(2)28-23-13)12-21(3)18-11-16(9-10-19(18)22-20(21)25)29(26,27)24-15-7-5-4-6-8-15/h9-11,15,24H,4-8,12H2,1-3H3,(H,22,25)
InChIKeyOIUFDAPYDGYEBQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.35
Rot. Bonds5

About N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide

N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 126469676) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID126469676
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCc1noc(C)c1CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21
InChIInChI=1S/C21H27N3O4S/c1-13-17(14(2)28-23-13)12-21(3)18-11-16(9-10-19(18)22-20(21)25)29(26,27)24-15-7-5-4-6-8-15/h9-11,15,24H,4-8,12H2,1-3H3,(H,22,25)
InChIKeyOIUFDAPYDGYEBQ-UHFFFAOYSA-N
XLogP3.35
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide (CID 126469676) is N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide is Cc1noc(C)c1CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is OIUFDAPYDGYEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-13-17(14(2)28-23-13)12-21(3)18-11-16(9-10-19(18)22-20(21)25)29(26,27)24-15-7-5-4-6-8-15/h9-11,15,24H,4-8,12H2,1-3H3,(H,22,25).
What are the key properties of N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide?
N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 417.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 126469676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).