5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide

C18H30N2O3S2 — CID 89073869

IUPAC5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide
SMILESC=CC(C/C=C1/C=CSC1)NC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C18H30N2O3S2/c1-5-16(10-9-15-11-13-24-14-15)20-17(21)8-6-7-12-19-25(22,23)18(2,3)4/h5,9,11,13,16,19H,1,6-8,10,12,14H2,2-4H3,(H,20,21)/b15-9-
InChIKeyRRVNQOXDLSYWQN-DHDCSXOGSA-N
MW386.58 g/mol
LogP3.12
Rot. Bonds10

About 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide

5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide (PubChem CID 89073869) has the molecular formula C18H30N2O3S2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide
PubChem CID89073869
Molecular FormulaC18H30N2O3S2
Molecular Weight386.58 g/mol
Exact Mass386.17
IUPAC Name5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide
SMILESC=CC(C/C=C1/C=CSC1)NC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C18H30N2O3S2/c1-5-16(10-9-15-11-13-24-14-15)20-17(21)8-6-7-12-19-25(22,23)18(2,3)4/h5,9,11,13,16,19H,1,6-8,10,12,14H2,2-4H3,(H,20,21)/b15-9-
InChIKeyRRVNQOXDLSYWQN-DHDCSXOGSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide (CID 89073869) is 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide is C=CC(C/C=C1/C=CSC1)NC(=O)CCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide?
The InChIKey is RRVNQOXDLSYWQN-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H30N2O3S2/c1-5-16(10-9-15-11-13-24-14-15)20-17(21)8-6-7-12-19-25(22,23)18(2,3)4/h5,9,11,13,16,19H,1,6-8,10,12,14H2,2-4H3,(H,20,21)/b15-9-.
What are the key properties of 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide?
5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide has a molecular weight of 386.58 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[(5Z)-5-thiophen-3-ylidenepent-1-en-3-yl]pentanamide is sourced from PubChem (CID 89073869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).