N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide

C19H34N2O3S — CID 71040419

IUPACN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide
SMILESCC(C)(C)C1=CC=C(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H34N2O3S/c1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6/h10,12,20H,7-9,11,13-14H2,1-6H3,(H,21,22)
InChIKeyPYGPQEZACYIKGI-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.64
Rot. Bonds7

About N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide

N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide (PubChem CID 71040419) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide
PubChem CID71040419
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide
SMILESCC(C)(C)C1=CC=C(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H34N2O3S/c1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6/h10,12,20H,7-9,11,13-14H2,1-6H3,(H,21,22)
InChIKeyPYGPQEZACYIKGI-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(tert-butylsulfinylamino)-N-(5-fluoro-5-methylcyclohexa-1,3-dien-1-yl)pentanamide
CID 71040417
N-(4-tert-butylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 70892599
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040476
5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
CID 89214752
5-(tert-butylsulfinylamino)-N-[(2Z,4E)-4-[(1R)-1-(4,4-diethylhexan-2-ylamino)ethyl]hepta-2,4,6-trienyl]pentanamide
CID 89214852
5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide
CID 89214873
4-[[(E)-5-(tert-butylsulfinylamino)-2-ethenylhex-4-enoyl]amino]-3,5-dimethyl-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
CID 89214944
N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215073

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide?
The IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide (CID 71040419) is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide.
What is the SMILES notation for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide?
The canonical SMILES for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide is CC(C)(C)C1=CC=C(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide?
The InChIKey is PYGPQEZACYIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6/h10,12,20H,7-9,11,13-14H2,1-6H3,(H,21,22).
What are the key properties of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide?
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide has a molecular weight of 370.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide is sourced from PubChem (CID 71040419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).