5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide

C20H38N2O3S — CID 89214929

IUPAC5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide
SMILESC=CC(C/C=C(\C)C(C)CC)NC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C20H38N2O3S/c1-8-16(3)17(4)13-14-18(9-2)22-19(23)12-10-11-15-21-26(24,25)20(5,6)7/h9,13,16,18,21H,2,8,10-12,14-15H2,1,3-7H3,(H,22,23)/b17-13+
InChIKeyCQELFNMWHIDPAG-GHRIWEEISA-N
MW386.60 g/mol
LogP3.93
Rot. Bonds12

About 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide

5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide (PubChem CID 89214929) has the molecular formula C20H38N2O3S and a molecular weight of 386.60 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide
PubChem CID89214929
Molecular FormulaC20H38N2O3S
Molecular Weight386.60 g/mol
Exact Mass386.26
IUPAC Name5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide
SMILESC=CC(C/C=C(\C)C(C)CC)NC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C20H38N2O3S/c1-8-16(3)17(4)13-14-18(9-2)22-19(23)12-10-11-15-21-26(24,25)20(5,6)7/h9,13,16,18,21H,2,8,10-12,14-15H2,1,3-7H3,(H,22,23)/b17-13+
InChIKeyCQELFNMWHIDPAG-GHRIWEEISA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[ethylsulfonyl(methyl)amino]-2,3,4-trimethyl-N-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 71040541
N-[(Z)-1-[(5S)-3,5-dimethylpiperidin-1-yl]hept-2-en-4-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892482
N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892579
N-(4-tert-butylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 70892599
4-(tert-butylsulfinylamino)-N-(4-ethylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 70974416
5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide
CID 70974461
5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
CID 70974482
5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
CID 71040421
N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040485
4-[5-(tert-butylsulfonylamino)pentanoylamino]-4-methyl-N,N-di(propan-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 71040531
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040545
4-(tert-butylsulfonylamino)-N-(4-ethylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 71040554

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide (CID 89214929) is 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide is C=CC(C/C=C(\C)C(C)CC)NC(=O)CCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide?
The InChIKey is CQELFNMWHIDPAG-GHRIWEEISA-N. The full InChI is InChI=1S/C20H38N2O3S/c1-8-16(3)17(4)13-14-18(9-2)22-19(23)12-10-11-15-21-26(24,25)20(5,6)7/h9,13,16,18,21H,2,8,10-12,14-15H2,1,3-7H3,(H,22,23)/b17-13+.
What are the key properties of 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide?
5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide has a molecular weight of 386.60 g/mol, XLogP of 3.93, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide is sourced from PubChem (CID 89214929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).