5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide

C21H40N2O3S — CID 89214978

IUPAC5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide
SMILESC=C(CCCCC/C=C\CC)CNC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H40N2O3S/c1-6-7-8-9-10-11-12-15-19(2)18-22-20(24)16-13-14-17-23-27(25,26)21(3,4)5/h7-8,23H,2,6,9-18H2,1,3-5H3,(H,22,24)/b8-7-
InChIKeyQJRBDGFZJSIXFS-FPLPWBNLSA-N
MW400.63 g/mol
LogP4.46
Rot. Bonds15

About 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide

5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide (PubChem CID 89214978) has the molecular formula C21H40N2O3S and a molecular weight of 400.63 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide
PubChem CID89214978
Molecular FormulaC21H40N2O3S
Molecular Weight400.63 g/mol
Exact Mass400.28
IUPAC Name5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide
SMILESC=C(CCCCC/C=C\CC)CNC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H40N2O3S/c1-6-7-8-9-10-11-12-15-19(2)18-22-20(24)16-13-14-17-23-27(25,26)21(3,4)5/h7-8,23H,2,6,9-18H2,1,3-5H3,(H,22,24)/b8-7-
InChIKeyQJRBDGFZJSIXFS-FPLPWBNLSA-N
XLogP4.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 54.46
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

N-arachidonoyltaurine(1-)
CID 119058188
N-oleoyltaurine(1-)
CID 145944429
N-nervonoyltaurine(1-)
CID 145944466
4-(aminosulfonyl)-N-(1-cyclohex-1-en-1-ylethyl)butanamide
CID 56754408
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
N-[(5Z)-5-methyl-7-(4-methyl-2,3-dihydrothiophen-2-yl)hepta-1,5-dien-4-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89073722
5-(tert-butylsulfinylamino)-N-[(5Z)-7-(2,5-dihydropyrrol-1-yl)hepta-1,5-dien-4-yl]pentanamide
CID 89214745
5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide
CID 89214927
5-(tert-butylsulfonylamino)-N-[(5E)-6,7-dimethylnona-1,5-dien-3-yl]pentanamide
CID 89214929

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide (CID 89214978) is 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide is C=C(CCCCC/C=C\CC)CNC(=O)CCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide?
The InChIKey is QJRBDGFZJSIXFS-FPLPWBNLSA-N. The full InChI is InChI=1S/C21H40N2O3S/c1-6-7-8-9-10-11-12-15-19(2)18-22-20(24)16-13-14-17-23-27(25,26)21(3,4)5/h7-8,23H,2,6,9-18H2,1,3-5H3,(H,22,24)/b8-7-.
What are the key properties of 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide has a molecular weight of 400.63 g/mol, XLogP of 4.46, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[(Z)-2-methylideneundec-8-enyl]pentanamide is sourced from PubChem (CID 89214978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).