N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide

C17H20N2O2S3 — CID 7023514

IUPACN-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
SMILESO=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1
InChIInChI=1S/C17H20N2O2S3/c20-15(18-12-5-1-2-6-12)8-3-9-19-16(21)14(24-17(19)22)11-13-7-4-10-23-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,18,20)/b14-11+
InChIKeyNWKBKECMAQEQBT-SDNWHVSQSA-N
MW380.56 g/mol
LogP3.79
Rot. Bonds6

About N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide

N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide (PubChem CID 7023514) has the molecular formula C17H20N2O2S3 and a molecular weight of 380.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
PubChem CID7023514
Molecular FormulaC17H20N2O2S3
Molecular Weight380.56 g/mol
Exact Mass380.07
IUPAC NameN-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
SMILESO=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1
InChIInChI=1S/C17H20N2O2S3/c20-15(18-12-5-1-2-6-12)8-3-9-19-16(21)14(24-17(19)22)11-13-7-4-10-23-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,18,20)/b14-11+
InChIKeyNWKBKECMAQEQBT-SDNWHVSQSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide?
The IUPAC name of N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide (CID 7023514) is N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide?
The canonical SMILES for N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide is O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide?
The InChIKey is NWKBKECMAQEQBT-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H20N2O2S3/c20-15(18-12-5-1-2-6-12)8-3-9-19-16(21)14(24-17(19)22)11-13-7-4-10-23-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,18,20)/b14-11+.
What are the key properties of N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide?
N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide has a molecular weight of 380.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide is sourced from PubChem (CID 7023514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).