2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

C22H34ClN3O3S — CID 70693715

IUPAC2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C22H34ClN3O3S/c1-15(2)30(28,29)24-12-16-5-8-18(9-6-16)25-21(27)13-26-14-22(3,4)19-11-17(23)7-10-20(19)26/h7,10-11,15-16,18,24H,5-6,8-9,12-14H2,1-4H3,(H,25,27)
InChIKeyHIEILZARBRLACF-UHFFFAOYSA-N
MW456.05 g/mol
LogP3.44
Rot. Bonds7

About 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (PubChem CID 70693715) has the molecular formula C22H34ClN3O3S and a molecular weight of 456.05 g/mol. Its IUPAC name is 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
PubChem CID70693715
Molecular FormulaC22H34ClN3O3S
Molecular Weight456.05 g/mol
Exact Mass455.20
IUPAC Name2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C22H34ClN3O3S/c1-15(2)30(28,29)24-12-16-5-8-18(9-6-16)25-21(27)13-26-14-22(3,4)19-11-17(23)7-10-20(19)26/h7,10-11,15-16,18,24H,5-6,8-9,12-14H2,1-4H3,(H,25,27)
InChIKeyHIEILZARBRLACF-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.05
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (CID 70693715) is 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is CC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The InChIKey is HIEILZARBRLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O3S/c1-15(2)30(28,29)24-12-16-5-8-18(9-6-16)25-21(27)13-26-14-22(3,4)19-11-17(23)7-10-20(19)26/h7,10-11,15-16,18,24H,5-6,8-9,12-14H2,1-4H3,(H,25,27).
What are the key properties of 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide has a molecular weight of 456.05 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 70693715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).