2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide

C17H21N3O5S — CID 10134310

IUPAC2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCOCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22)
InChIKeyHSTMLKQZZRBSOQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.05
Rot. Bonds10

About 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide (PubChem CID 10134310) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide
PubChem CID10134310
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCOCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22)
InChIKeyHSTMLKQZZRBSOQ-UHFFFAOYSA-N
XLogP2.05
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide (CID 10134310) is 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide is COCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is HSTMLKQZZRBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22).
What are the key properties of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10134310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).