4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide

C21H25N3O2S2 — CID 24652584

IUPAC4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)NCC(c2cccs2)N2CCOCC2)c1C
InChIInChI=1S/C21H25N3O2S2/c1-15-16(2)28-21(24-7-3-4-8-24)19(15)20(25)22-14-17(18-6-5-13-27-18)23-9-11-26-12-10-23/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyKVDJHLGGSFQTFU-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.02
Rot. Bonds6

About 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide

4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 24652584) has the molecular formula C21H25N3O2S2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID24652584
Molecular FormulaC21H25N3O2S2
Molecular Weight415.58 g/mol
Exact Mass415.14
IUPAC Name4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)NCC(c2cccs2)N2CCOCC2)c1C
InChIInChI=1S/C21H25N3O2S2/c1-15-16(2)28-21(24-7-3-4-8-24)19(15)20(25)22-14-17(18-6-5-13-27-18)23-9-11-26-12-10-23/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyKVDJHLGGSFQTFU-UHFFFAOYSA-N
XLogP4.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 37099503
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 17479577
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573034
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
(2R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036104

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide (CID 24652584) is 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide is Cc1sc(-n2cccc2)c(C(=O)NCC(c2cccs2)N2CCOCC2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is KVDJHLGGSFQTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S2/c1-15-16(2)28-21(24-7-3-4-8-24)19(15)20(25)22-14-17(18-6-5-13-27-18)23-9-11-26-12-10-23/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide?
4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 24652584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).