4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide

C17H24F2N2O3S — CID 20629671

IUPAC4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-17(2,3)25(23,24)21-12-6-4-11(5-7-12)16(22)20-13-8-9-14(18)15(19)10-13/h8-12,21H,4-7H2,1-3H3,(H,20,22)
InChIKeyAVLVUJNBXUGZGV-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.18
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide (PubChem CID 20629671) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
PubChem CID20629671
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-17(2,3)25(23,24)21-12-6-4-11(5-7-12)16(22)20-13-8-9-14(18)15(19)10-13/h8-12,21H,4-7H2,1-3H3,(H,20,22)
InChIKeyAVLVUJNBXUGZGV-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-(tert-butylsulfonylamino)-N-[4-(1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 70792939
4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 20629923
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
4-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630293
4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 20629626

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide (CID 20629671) is 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is AVLVUJNBXUGZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-17(2,3)25(23,24)21-12-6-4-11(5-7-12)16(22)20-13-8-9-14(18)15(19)10-13/h8-12,21H,4-7H2,1-3H3,(H,20,22).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20629671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).