4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide

C24H35N3O4S — CID 71040298

IUPAC4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1C=CC(C(=O)NC2C=CC(C(=O)NC3CCCCC3)=CC2)=CC1
InChIInChI=1S/C24H35N3O4S/c1-24(2,3)32(30,31)27-21-15-11-18(12-16-21)23(29)26-20-13-9-17(10-14-20)22(28)25-19-7-5-4-6-8-19/h9-13,15,19-21,27H,4-8,14,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyOUFNNHGUMXSKGO-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.78
Rot. Bonds6

About 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide

4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 71040298) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide
PubChem CID71040298
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1C=CC(C(=O)NC2C=CC(C(=O)NC3CCCCC3)=CC2)=CC1
InChIInChI=1S/C24H35N3O4S/c1-24(2,3)32(30,31)27-21-15-11-18(12-16-21)23(29)26-20-13-9-17(10-14-20)22(28)25-19-7-5-4-6-8-19/h9-13,15,19-21,27H,4-8,14,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyOUFNNHGUMXSKGO-UHFFFAOYSA-N
XLogP2.78
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-[(Z)-3-(tert-butylsulfonylamino)prop-1-enyl]-N-[5-ethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-2-enamide
CID 89215184
(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide
CID 147827289
4-(tert-butylsulfonylamino)-N-(4-cyclohexylcyclohex-3-en-1-yl)cyclohexa-1,5-diene-1-carboxamide
CID 70892680
(4R)-N-propan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]cyclohexa-1,5-diene-1-carboxamide
CID 71040359
4-[5-(tert-butylsulfonylamino)pentanoylamino]-4-methyl-N,N-di(propan-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 71040531
4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide
CID 71040548
4-(tert-butylsulfonylamino)-N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 89215167
(2E,3Z)-5-(tert-butylsulfonylamino)-N-(4-cyclohexylcyclohex-3-en-1-yl)-2-ethylidenehexa-3,5-dienamide
CID 89256548

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide (CID 71040298) is 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide is CC(C)(C)S(=O)(=O)NC1C=CC(C(=O)NC2C=CC(C(=O)NC3CCCCC3)=CC2)=CC1.
What is the InChIKey of 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OUFNNHGUMXSKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-24(2,3)32(30,31)27-21-15-11-18(12-16-21)23(29)26-20-13-9-17(10-14-20)22(28)25-19-7-5-4-6-8-19/h9-13,15,19-21,27H,4-8,14,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide?
4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71040298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).