2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

C21H32ClN3O3S — CID 56666779

IUPAC2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CCCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)
InChIKeyTXZMCETXZQEIQB-UHFFFAOYSA-N
MW442.03 g/mol
LogP3.10
Rot. Bonds7

About 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (PubChem CID 56666779) has the molecular formula C21H32ClN3O3S and a molecular weight of 442.03 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
PubChem CID56666779
Molecular FormulaC21H32ClN3O3S
Molecular Weight442.03 g/mol
Exact Mass441.19
IUPAC Name2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CCCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)
InChIKeyTXZMCETXZQEIQB-UHFFFAOYSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.03
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(7-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56666778
2-(7-chloro-3-oxo-1,4-benzothiazin-4-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56683705
2-(5-chloro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 57345520
(2S)-N-(3-chlorophenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 60210911
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
2-[(4-Chloro-phenyl)-methanesulfonyl-amino]-N-(1-phenyl-ethyl)-acetamide
CID 3120123
N-(4-Chloro-2-methylphenyl)-2-(N-methyl1-acetyl-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
CID 16031846
2-(7-chloro-1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazin-4-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56663345
2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56677041
N-[[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethylamino]cyclohexyl]methyl]propane-2-sulfonamide
CID 56677043
2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70693715
N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 71457917

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (CID 56666779) is 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is CC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CCCc3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The InChIKey is TXZMCETXZQEIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide has a molecular weight of 442.03 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 56666779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).