4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide

C17H24N2O3S — CID 71040548

IUPAC4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1C=CC(C(=O)NC2C=CC=CC2)=CC1
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)23(21,22)19-15-11-9-13(10-12-15)16(20)18-14-7-5-4-6-8-14/h4-7,9-11,14-15,19H,8,12H2,1-3H3,(H,18,20)
InChIKeyQBKMOHKITXNODB-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.96
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide

4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 71040548) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID71040548
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1C=CC(C(=O)NC2C=CC=CC2)=CC1
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)23(21,22)19-15-11-9-13(10-12-15)16(20)18-14-7-5-4-6-8-14/h4-7,9-11,14-15,19H,8,12H2,1-3H3,(H,18,20)
InChIKeyQBKMOHKITXNODB-UHFFFAOYSA-N
XLogP1.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide (CID 71040548) is 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide is CC(C)(C)S(=O)(=O)NC1C=CC(C(=O)NC2C=CC=CC2)=CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is QBKMOHKITXNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(2,3)23(21,22)19-15-11-9-13(10-12-15)16(20)18-14-7-5-4-6-8-14/h4-7,9-11,14-15,19H,8,12H2,1-3H3,(H,18,20).
What are the key properties of 4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide?
4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.96, 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-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71040548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).