N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C20H25N3OS — CID 40890198

IUPACN-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CCCC3)ccc21
InChIInChI=1S/C20H25N3OS/c1-22-11-8-16-13-15(6-7-17(16)22)18(23-9-2-3-10-23)14-21-20(24)19-5-4-12-25-19/h4-7,12-13,18H,2-3,8-11,14H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyDHCZAYDBOXGARA-GOSISDBHSA-N
MW355.51 g/mol
LogP3.31
Rot. Bonds5

About N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 40890198) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID40890198
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CCCC3)ccc21
InChIInChI=1S/C20H25N3OS/c1-22-11-8-16-13-15(6-7-17(16)22)18(23-9-2-3-10-23)14-21-20(24)19-5-4-12-25-19/h4-7,12-13,18H,2-3,8-11,14H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyDHCZAYDBOXGARA-GOSISDBHSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40890606
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N'-phenyloxamide
CID 51449135
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 30575872
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 51641005
3,5-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16802048
4-bromo-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30575996
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 40890198) is N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is CN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CCCC3)ccc21.
What is the InChIKey of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is DHCZAYDBOXGARA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-22-11-8-16-13-15(6-7-17(16)22)18(23-9-2-3-10-23)14-21-20(24)19-5-4-12-25-19/h4-7,12-13,18H,2-3,8-11,14H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 40890198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).