4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide

C19H20N4O2S — CID 166296320

IUPAC4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide
SMILESCc1csc2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)[nH]c12
InChIInChI=1S/C19H20N4O2S/c1-12-11-26-16-10-15(21-17(12)16)19(25)23-8-6-22(7-9-23)14-4-2-13(3-5-14)18(20)24/h2-5,10-11,21H,6-9H2,1H3,(H2,20,24)
InChIKeyDDRBIWMWSCZHHH-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.60
Rot. Bonds3

About 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide

4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide (PubChem CID 166296320) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide
PubChem CID166296320
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide
SMILESCc1csc2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)[nH]c12
InChIInChI=1S/C19H20N4O2S/c1-12-11-26-16-10-15(21-17(12)16)19(25)23-8-6-22(7-9-23)14-4-2-13(3-5-14)18(20)24/h2-5,10-11,21H,6-9H2,1H3,(H2,20,24)
InChIKeyDDRBIWMWSCZHHH-UHFFFAOYSA-N
XLogP2.60
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
(3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole
CID 160788193
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
(3-bromo-4H-thieno[3,2-b]pyrrol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 24739845
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide (CID 166296320) is 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide is Cc1csc2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)[nH]c12.
What is the InChIKey of 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is DDRBIWMWSCZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-11-26-16-10-15(21-17(12)16)19(25)23-8-6-22(7-9-23)14-4-2-13(3-5-14)18(20)24/h2-5,10-11,21H,6-9H2,1H3,(H2,20,24).
What are the key properties of 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide?
4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 166296320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).