N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide

C23H21N3O2S — CID 53037423

IUPACN-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H21N3O2S/c1-16-10-11-21(28-2)18(13-16)24-22(27)14-26-12-6-9-20(26)23-25-19(15-29-23)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyRDUJPVKDMAKKRS-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.23
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53037423) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53037423
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H21N3O2S/c1-16-10-11-21(28-2)18(13-16)24-22(27)14-26-12-6-9-20(26)23-25-19(15-29-23)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyRDUJPVKDMAKKRS-UHFFFAOYSA-N
XLogP5.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 50836356
N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837076
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 71683676
N-cyclohexyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836966
N-(2-methoxy-5-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667312
N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 53037462
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110422465
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 28857238
1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 46393435

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (CID 53037423) is N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is COc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is RDUJPVKDMAKKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-10-11-21(28-2)18(13-16)24-22(27)14-26-12-6-9-20(26)23-25-19(15-29-23)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53037423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).