N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C21H28F2N4O3S2 — CID 53326704

IUPACN-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N(C)C2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)s1
InChIInChI=1S/C21H28F2N4O3S2/c1-12-20(31-21(25-12)26-13(2)28)32(29,30)27(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3,(H,25,26,28)/t14?,17?,19-/m1/s1
InChIKeyBRLHTCYEDPONCO-ITXXBFQVSA-N
MW486.61 g/mol
LogP3.44
Rot. Bonds7

About N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 53326704) has the molecular formula C21H28F2N4O3S2 and a molecular weight of 486.61 g/mol. Its IUPAC name is N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID53326704
Molecular FormulaC21H28F2N4O3S2
Molecular Weight486.61 g/mol
Exact Mass486.16
IUPAC NameN-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N(C)C2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)s1
InChIInChI=1S/C21H28F2N4O3S2/c1-12-20(31-21(25-12)26-13(2)28)32(29,30)27(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3,(H,25,26,28)/t14?,17?,19-/m1/s1
InChIKeyBRLHTCYEDPONCO-ITXXBFQVSA-N
XLogP3.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide 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-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 53326704) is N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)C2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)s1.
What is the InChIKey of N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is BRLHTCYEDPONCO-ITXXBFQVSA-N. The full InChI is InChI=1S/C21H28F2N4O3S2/c1-12-20(31-21(25-12)26-13(2)28)32(29,30)27(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3,(H,25,26,28)/t14?,17?,19-/m1/s1.
What are the key properties of N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 486.61 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 53326704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).