N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide

C17H26N2O3S2 — CID 89215075

IUPACN-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C(/C=c1/ccs/c1=C/C)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C17H26N2O3S2/c1-5-16-15(9-11-23-16)12-14(4)19-17(20)8-6-7-10-18-24(21,22)13(2)3/h5,9,11-13,18H,4,6-8,10H2,1-3H3,(H,19,20)/b15-12-,16-5+
InChIKeyGYLCQONZCCVBTJ-GJFCQGFISA-N
MW370.54 g/mol
LogP1.46
Rot. Bonds9

About N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89215075) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89215075
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C(/C=c1/ccs/c1=C/C)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C17H26N2O3S2/c1-5-16-15(9-11-23-16)12-14(4)19-17(20)8-6-7-10-18-24(21,22)13(2)3/h5,9,11-13,18H,4,6-8,10H2,1-3H3,(H,19,20)/b15-12-,16-5+
InChIKeyGYLCQONZCCVBTJ-GJFCQGFISA-N
XLogP1.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89215075) is N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is C=C(/C=c1/ccs/c1=C/C)NC(=O)CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is GYLCQONZCCVBTJ-GJFCQGFISA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-5-16-15(9-11-23-16)12-14(4)19-17(20)8-6-7-10-18-24(21,22)13(2)3/h5,9,11-13,18H,4,6-8,10H2,1-3H3,(H,19,20)/b15-12-,16-5+.
What are the key properties of N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 370.54 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89215075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).