4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide

C21H34N2O4S — CID 20630750

IUPAC4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H34N2O4S/c1-20(2,3)27-18-13-11-16(12-14-18)22-19(24)15-7-9-17(10-8-15)23-28(25,26)21(4,5)6/h11-15,17,23H,7-10H2,1-6H3,(H,22,24)
InChIKeyBSUOLTWUQCWILO-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.08
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 20630750) has the molecular formula C21H34N2O4S and a molecular weight of 410.58 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
PubChem CID20630750
Molecular FormulaC21H34N2O4S
Molecular Weight410.58 g/mol
Exact Mass410.22
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H34N2O4S/c1-20(2,3)27-18-13-11-16(12-14-18)22-19(24)15-7-9-17(10-8-15)23-28(25,26)21(4,5)6/h11-15,17,23H,7-10H2,1-6H3,(H,22,24)
InChIKeyBSUOLTWUQCWILO-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
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
4-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630293
N-(4-butoxy-2-hydroxyphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630419
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
N-anthracen-1-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20629356
4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 20630708
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide (CID 20630750) is 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide is CC(C)(C)Oc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide?
The InChIKey is BSUOLTWUQCWILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4S/c1-20(2,3)27-18-13-11-16(12-14-18)22-19(24)15-7-9-17(10-8-15)23-28(25,26)21(4,5)6/h11-15,17,23H,7-10H2,1-6H3,(H,22,24).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20630750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).