4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide

C20H31N3O5S2 — CID 20629923

IUPAC4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C20H31N3O5S2/c1-20(2,3)30(27,28)22-17-7-5-15(6-8-17)19(24)21-16-9-11-18(12-10-16)23-13-4-14-29(23,25)26/h9-12,15,17,22H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeySFFPAAPJNBSNDY-UHFFFAOYSA-N
MW457.62 g/mol
LogP2.44
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 20629923) has the molecular formula C20H31N3O5S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID20629923
Molecular FormulaC20H31N3O5S2
Molecular Weight457.62 g/mol
Exact Mass457.17
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C20H31N3O5S2/c1-20(2,3)30(27,28)22-17-7-5-15(6-8-17)19(24)21-16-9-11-18(12-10-16)23-13-4-14-29(23,25)26/h9-12,15,17,22H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeySFFPAAPJNBSNDY-UHFFFAOYSA-N
XLogP2.44
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide (CID 20629923) is 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is SFFPAAPJNBSNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S2/c1-20(2,3)30(27,28)22-17-7-5-15(6-8-17)19(24)21-16-9-11-18(12-10-16)23-13-4-14-29(23,25)26/h9-12,15,17,22H,4-8,13-14H2,1-3H3,(H,21,24).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).