N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C18H27FN2O3S — CID 3467303

IUPACN-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h8-11,13-15,20H,3-7,12H2,1-2H3,(H,21,22)
InChIKeySBVCZQWXIFHHDR-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.83
Rot. Bonds7

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

N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 3467303) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID3467303
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC NameN-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h8-11,13-15,20H,3-7,12H2,1-2H3,(H,21,22)
InChIKeySBVCZQWXIFHHDR-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649798
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 45370457
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 124649867
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 71710458
N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 5323473
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 97263064
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 3467303) is N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is CCC(C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is SBVCZQWXIFHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h8-11,13-15,20H,3-7,12H2,1-2H3,(H,21,22).
What are the key properties of N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3467303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).