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

C15H18N4O3S — CID 44560753

IUPAC2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCNCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-18-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)20)14(23-12)19-15(17)21/h2-5,8,18H,6-7H2,1H3,(H2,16,20)(H3,17,19,21)
InChIKeyRWABHINIKARYOX-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.60
Rot. Bonds7

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

2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide (PubChem CID 44560753) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide
PubChem CID44560753
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCNCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-18-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)20)14(23-12)19-15(17)21/h2-5,8,18H,6-7H2,1H3,(H2,16,20)(H3,17,19,21)
InChIKeyRWABHINIKARYOX-UHFFFAOYSA-N
XLogP1.60
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.60
H-Bond Donors ≤ 54
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-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide (CID 44560753) is 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide is CNCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is RWABHINIKARYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)20)14(23-12)19-15(17)21/h2-5,8,18H,6-7H2,1H3,(H2,16,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).