4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C19H28FN3O5S — CID 124649798

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCO
InChIInChI=1S/C19H28FN3O5S/c1-13(18(25)21-10-11-24)23-19(26)15-4-2-14(3-5-15)12-22-29(27,28)17-8-6-16(20)7-9-17/h6-9,13-15,22,24H,2-5,10-12H2,1H3,(H,21,25)(H,23,26)/t13-,14?,15?/m1/s1
InChIKeyGDIQVLDMJGPEIA-WLYUNCDWSA-N
MW429.51 g/mol
LogP0.52
Rot. Bonds9

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 124649798) has the molecular formula C19H28FN3O5S and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID124649798
Molecular FormulaC19H28FN3O5S
Molecular Weight429.51 g/mol
Exact Mass429.17
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCO
InChIInChI=1S/C19H28FN3O5S/c1-13(18(25)21-10-11-24)23-19(26)15-4-2-14(3-5-15)12-22-29(27,28)17-8-6-16(20)7-9-17/h6-9,13-15,22,24H,2-5,10-12H2,1H3,(H,21,25)(H,23,26)/t13-,14?,15?/m1/s1
InChIKeyGDIQVLDMJGPEIA-WLYUNCDWSA-N
XLogP0.52
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 124649867
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 45370457
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 71710458
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 97263064
4-(benzenesulfonamidomethyl)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 45371248
4-(benzenesulfonamidomethyl)-N-[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]cyclohexane-1-carboxamide
CID 41111646
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 124649118
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
4-(benzenesulfonamidomethyl)-N-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 51829674

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 124649798) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCO.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is GDIQVLDMJGPEIA-WLYUNCDWSA-N. The full InChI is InChI=1S/C19H28FN3O5S/c1-13(18(25)21-10-11-24)23-19(26)15-4-2-14(3-5-15)12-22-29(27,28)17-8-6-16(20)7-9-17/h6-9,13-15,22,24H,2-5,10-12H2,1H3,(H,21,25)(H,23,26)/t13-,14?,15?/m1/s1.
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 0.52, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124649798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).