3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide

C17H22N4O3S — CID 10292131

IUPAC3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide
SMILESCN(C)CCCOc1ccccc1-c1cc(NC(N)=O)c(C(N)=O)s1
InChIInChI=1S/C17H22N4O3S/c1-21(2)8-5-9-24-13-7-4-3-6-11(13)14-10-12(20-17(19)23)15(25-14)16(18)22/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23)
InChIKeyGLFMIIIIYRZMIR-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.34
Rot. Bonds8

About 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide

3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide (PubChem CID 10292131) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide
PubChem CID10292131
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide
SMILESCN(C)CCCOc1ccccc1-c1cc(NC(N)=O)c(C(N)=O)s1
InChIInChI=1S/C17H22N4O3S/c1-21(2)8-5-9-24-13-7-4-3-6-11(13)14-10-12(20-17(19)23)15(25-14)16(18)22/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23)
InChIKeyGLFMIIIIYRZMIR-UHFFFAOYSA-N
XLogP2.34
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.34
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 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide (CID 10292131) is 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide is CN(C)CCCOc1ccccc1-c1cc(NC(N)=O)c(C(N)=O)s1.
What is the InChIKey of 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is GLFMIIIIYRZMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(2)8-5-9-24-13-7-4-3-6-11(13)14-10-12(20-17(19)23)15(25-14)16(18)22/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23).
What are the key properties of 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide?
3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 10292131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).