N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

C19H30FN3O3S — CID 119589001

IUPACN-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C19H30FN3O3S/c1-13(2)18(23-27(25,26)17-11-7-6-10-15(17)20)19(24)22-16(12-21)14-8-4-3-5-9-14/h6-7,10-11,13-14,16,18,23H,3-5,8-9,12,21H2,1-2H3,(H,22,24)
InChIKeyCFMQBVZFETYZBF-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.15
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 119589001) has the molecular formula C19H30FN3O3S and a molecular weight of 399.53 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID119589001
Molecular FormulaC19H30FN3O3S
Molecular Weight399.53 g/mol
Exact Mass399.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C19H30FN3O3S/c1-13(2)18(23-27(25,26)17-11-7-6-10-15(17)20)19(24)22-16(12-21)14-8-4-3-5-9-14/h6-7,10-11,13-14,16,18,23H,3-5,8-9,12,21H2,1-2H3,(H,22,24)
InChIKeyCFMQBVZFETYZBF-UHFFFAOYSA-N
XLogP2.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979
cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 25499350
cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674830
cis-(1R,3S)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120677269
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577893

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 119589001) is N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is CFMQBVZFETYZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O3S/c1-13(2)18(23-27(25,26)17-11-7-6-10-15(17)20)19(24)22-16(12-21)14-8-4-3-5-9-14/h6-7,10-11,13-14,16,18,23H,3-5,8-9,12,21H2,1-2H3,(H,22,24).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 399.53 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 119589001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).