N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C19H20IN3O2S — CID 174298533

IUPACN-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3I)c(CN3CCOCC3)c2s1
InChIInChI=1S/C19H20IN3O2S/c1-12-10-16-18(26-12)13(11-23-6-8-25-9-7-23)17(21-16)19(24)22-15-5-3-2-4-14(15)20/h2-5,10,21H,6-9,11H2,1H3,(H,22,24)
InChIKeyBKHLCTLDQKYVHR-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.23
Rot. Bonds4

About N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 174298533) has the molecular formula C19H20IN3O2S and a molecular weight of 481.36 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID174298533
Molecular FormulaC19H20IN3O2S
Molecular Weight481.36 g/mol
Exact Mass481.03
IUPAC NameN-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3I)c(CN3CCOCC3)c2s1
InChIInChI=1S/C19H20IN3O2S/c1-12-10-16-18(26-12)13(11-23-6-8-25-9-7-23)17(21-16)19(24)22-15-5-3-2-4-14(15)20/h2-5,10,21H,6-9,11H2,1H3,(H,22,24)
InChIKeyBKHLCTLDQKYVHR-UHFFFAOYSA-N
XLogP4.23
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721646
N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139818
N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139807
2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721743
N-(4-cyano-3-pyridinyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721784
N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721717
N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721683
N-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 70914499
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 174298533) is N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3ccccc3I)c(CN3CCOCC3)c2s1.
What is the InChIKey of N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is BKHLCTLDQKYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2S/c1-12-10-16-18(26-12)13(11-23-6-8-25-9-7-23)17(21-16)19(24)22-15-5-3-2-4-14(15)20/h2-5,10,21H,6-9,11H2,1H3,(H,22,24).
What are the key properties of N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 481.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 174298533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).