N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C22H34FN3O4S — CID 59429946

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1
InChIInChI=1S/C22H34FN3O4S/c1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-21-10-9-19(11-20(21)23)26-12-15(3)30-16(4)13-26/h9-11,14-18,25H,5-8,12-13H2,1-4H3,(H,24,27)/t15-,16+,17?,18?
InChIKeyYLQNQVNPOGHBSD-OQSMONGASA-N
MW455.60 g/mol
LogP3.26
Rot. Bonds6

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 59429946) has the molecular formula C22H34FN3O4S and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID59429946
Molecular FormulaC22H34FN3O4S
Molecular Weight455.60 g/mol
Exact Mass455.23
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1
InChIInChI=1S/C22H34FN3O4S/c1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-21-10-9-19(11-20(21)23)26-12-15(3)30-16(4)13-26/h9-11,14-18,25H,5-8,12-13H2,1-4H3,(H,24,27)/t15-,16+,17?,18?
InChIKeyYLQNQVNPOGHBSD-OQSMONGASA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide 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 N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 59429946) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is YLQNQVNPOGHBSD-OQSMONGASA-N. The full InChI is InChI=1S/C22H34FN3O4S/c1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-21-10-9-19(11-20(21)23)26-12-15(3)30-16(4)13-26/h9-11,14-18,25H,5-8,12-13H2,1-4H3,(H,24,27)/t15-,16+,17?,18?.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 59429946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).