2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C15H14IN3O3S — CID 69445676

IUPAC2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2cccc(I)c2)sc2c1CCOC2
InChIInChI=1S/C15H14IN3O3S/c16-8-2-1-3-9(6-8)18-15(21)19-14-12(13(17)20)10-4-5-22-7-11(10)23-14/h1-3,6H,4-5,7H2,(H2,17,20)(H2,18,19,21)
InChIKeyLINOYMWPFZDBSR-UHFFFAOYSA-N
MW443.27 g/mol
LogP3.17
Rot. Bonds3

About 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69445676) has the molecular formula C15H14IN3O3S and a molecular weight of 443.27 g/mol. Its IUPAC name is 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69445676
Molecular FormulaC15H14IN3O3S
Molecular Weight443.27 g/mol
Exact Mass442.98
IUPAC Name2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2cccc(I)c2)sc2c1CCOC2
InChIInChI=1S/C15H14IN3O3S/c16-8-2-1-3-9(6-8)18-15(21)19-14-12(13(17)20)10-4-5-22-7-11(10)23-14/h1-3,6H,4-5,7H2,(H2,17,20)(H2,18,19,21)
InChIKeyLINOYMWPFZDBSR-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
2-[(3-methylphenyl)carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3962171
2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450288
2-(2-thiophen-2-ylethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69453010
2-[(2-methyl-5-nitrophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449450
2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1325782
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69446712
(6S)-2-[(3-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1370754
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448827

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69445676) is 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is NC(=O)c1c(NC(=O)Nc2cccc(I)c2)sc2c1CCOC2.
What is the InChIKey of 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is LINOYMWPFZDBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O3S/c16-8-2-1-3-9(6-8)18-15(21)19-14-12(13(17)20)10-4-5-22-7-11(10)23-14/h1-3,6H,4-5,7H2,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 443.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69445676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).