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

C15H17N3O4S — CID 44560772

IUPAC2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide
SMILESCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C15H17N3O4S/c1-21-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)19)14(23-12)18-15(17)20/h2-5,8H,6-7H2,1H3,(H2,16,19)(H3,17,18,20)
InChIKeyCQVZMWKLFBXYDF-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.03
Rot. Bonds7

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

2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide (PubChem CID 44560772) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide
PubChem CID44560772
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide
SMILESCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C15H17N3O4S/c1-21-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)19)14(23-12)18-15(17)20/h2-5,8H,6-7H2,1H3,(H2,16,19)(H3,17,18,20)
InChIKeyCQVZMWKLFBXYDF-UHFFFAOYSA-N
XLogP2.03
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxyethoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide (CID 44560772) is 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide is COCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is CQVZMWKLFBXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-21-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)19)14(23-12)18-15(17)20/h2-5,8H,6-7H2,1H3,(H2,16,19)(H3,17,18,20).
What are the key properties of 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(2-methoxyethoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).