N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide

C22H40N2OS — CID 89153906

IUPACN-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide
SMILESC=CC(CCCC)C(=C)/C=C\C(CC)NC(=O)CCCCNSC(C)C
InChIInChI=1S/C22H40N2OS/c1-7-10-13-20(8-2)19(6)15-16-21(9-3)24-22(25)14-11-12-17-23-26-18(4)5/h8,15-16,18,20-21,23H,2,6-7,9-14,17H2,1,3-5H3,(H,24,25)/b16-15-
InChIKeyILVGVBAKAUSKES-NXVVXOECSA-N
MW380.64 g/mol
LogP5.80
Rot. Bonds16

About N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide

N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide (PubChem CID 89153906) has the molecular formula C22H40N2OS and a molecular weight of 380.64 g/mol. Its IUPAC name is N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide.

Molecular Properties

Compound NameN-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide
PubChem CID89153906
Molecular FormulaC22H40N2OS
Molecular Weight380.64 g/mol
Exact Mass380.29
IUPAC NameN-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide
SMILESC=CC(CCCC)C(=C)/C=C\C(CC)NC(=O)CCCCNSC(C)C
InChIInChI=1S/C22H40N2OS/c1-7-10-13-20(8-2)19(6)15-16-21(9-3)24-22(25)14-11-12-17-23-26-18(4)5/h8,15-16,18,20-21,23H,2,6-7,9-14,17H2,1,3-5H3,(H,24,25)/b16-15-
InChIKeyILVGVBAKAUSKES-NXVVXOECSA-N
XLogP5.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.64
LogP ≤ 55.80
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide?
The IUPAC name of N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide (CID 89153906) is N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide.
What is the SMILES notation for N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide?
The canonical SMILES for N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide is C=CC(CCCC)C(=C)/C=C\C(CC)NC(=O)CCCCNSC(C)C.
What is the InChIKey of N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide?
The InChIKey is ILVGVBAKAUSKES-NXVVXOECSA-N. The full InChI is InChI=1S/C22H40N2OS/c1-7-10-13-20(8-2)19(6)15-16-21(9-3)24-22(25)14-11-12-17-23-26-18(4)5/h8,15-16,18,20-21,23H,2,6-7,9-14,17H2,1,3-5H3,(H,24,25)/b16-15-.
What are the key properties of N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide?
N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide has a molecular weight of 380.64 g/mol, XLogP of 5.80, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide is sourced from PubChem (CID 89153906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).