N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide

C24H23N3O2S — CID 110255948

IUPACN-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CCN(C(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C24H23N3O2S/c1-25-23(28)22-21(17-8-4-6-10-20(17)30-22)15-11-12-27(13-15)24(29)18-14-26(2)19-9-5-3-7-16(18)19/h3-10,14-15H,11-13H2,1-2H3,(H,25,28)
InChIKeyRDUDGEZFDFUAJF-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.38
Rot. Bonds3

About N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide

N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 110255948) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID110255948
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CCN(C(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C24H23N3O2S/c1-25-23(28)22-21(17-8-4-6-10-20(17)30-22)15-11-12-27(13-15)24(29)18-14-26(2)19-9-5-3-7-16(18)19/h3-10,14-15H,11-13H2,1-2H3,(H,25,28)
InChIKeyRDUDGEZFDFUAJF-UHFFFAOYSA-N
XLogP4.38
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 124941306
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
3-[1-[(2-ethyl-1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 110089954
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331
N-methyl-3-[(3R)-1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812520
3-[(3S)-1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-3-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 95812719
(1-methylpyrazol-4-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251017
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide
CID 110251356
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide (CID 110255948) is N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1C1CCN(C(=O)c2cn(C)c3ccccc23)C1.
What is the InChIKey of N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is RDUDGEZFDFUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-25-23(28)22-21(17-8-4-6-10-20(17)30-22)15-11-12-27(13-15)24(29)18-14-26(2)19-9-5-3-7-16(18)19/h3-10,14-15H,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide?
N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110255948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).