[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid

C16H20N2O4S2 — CID 154178524

IUPAC[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid
SMILESO=C(O)Nc1sccc1CCCCCCc1ccsc1NC(=O)O
InChIInChI=1S/C16H20N2O4S2/c19-15(20)17-13-11(7-9-23-13)5-3-1-2-4-6-12-8-10-24-14(12)18-16(21)22/h7-10,17-18H,1-6H2,(H,19,20)(H,21,22)
InChIKeyYMWFIINJVSKIMT-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.34
Rot. Bonds9

About [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid

[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid (PubChem CID 154178524) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid
PubChem CID154178524
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid
SMILESO=C(O)Nc1sccc1CCCCCCc1ccsc1NC(=O)O
InChIInChI=1S/C16H20N2O4S2/c19-15(20)17-13-11(7-9-23-13)5-3-1-2-4-6-12-8-10-24-14(12)18-16(21)22/h7-10,17-18H,1-6H2,(H,19,20)(H,21,22)
InChIKeyYMWFIINJVSKIMT-UHFFFAOYSA-N
XLogP5.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.34
H-Bond Donors ≤ 54
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 [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid?
The IUPAC name of [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid (CID 154178524) is [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid.
What is the SMILES notation for [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid?
The canonical SMILES for [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid is O=C(O)Nc1sccc1CCCCCCc1ccsc1NC(=O)O.
What is the InChIKey of [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid?
The InChIKey is YMWFIINJVSKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c19-15(20)17-13-11(7-9-23-13)5-3-1-2-4-6-12-8-10-24-14(12)18-16(21)22/h7-10,17-18H,1-6H2,(H,19,20)(H,21,22).
What are the key properties of [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid?
[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid has a molecular weight of 368.48 g/mol, XLogP of 5.34, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid is sourced from PubChem (CID 154178524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).