4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide

C22H34N2O5S — CID 20629691

IUPAC4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(C3(O)CCOCC3)c2)CC1
InChIInChI=1S/C22H34N2O5S/c1-21(2,3)30(27,28)24-18-9-7-16(8-10-18)20(25)23-19-6-4-5-17(15-19)22(26)11-13-29-14-12-22/h4-6,15-16,18,24,26H,7-14H2,1-3H3,(H,23,25)
InChIKeyHOGAKFWPHAXJND-UHFFFAOYSA-N
MW438.59 g/mol
LogP2.90
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 20629691) has the molecular formula C22H34N2O5S and a molecular weight of 438.59 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID20629691
Molecular FormulaC22H34N2O5S
Molecular Weight438.59 g/mol
Exact Mass438.22
IUPAC Name4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(C3(O)CCOCC3)c2)CC1
InChIInChI=1S/C22H34N2O5S/c1-21(2,3)30(27,28)24-18-9-7-16(8-10-18)20(25)23-19-6-4-5-17(15-19)22(26)11-13-29-14-12-22/h4-6,15-16,18,24,26H,7-14H2,1-3H3,(H,23,25)
InChIKeyHOGAKFWPHAXJND-UHFFFAOYSA-N
XLogP2.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide (CID 20629691) is 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(C3(O)CCOCC3)c2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is HOGAKFWPHAXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5S/c1-21(2,3)30(27,28)24-18-9-7-16(8-10-18)20(25)23-19-6-4-5-17(15-19)22(26)11-13-29-14-12-22/h4-6,15-16,18,24,26H,7-14H2,1-3H3,(H,23,25).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[3-(4-hydroxyoxan-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).