N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide

C18H21N3OS — CID 36709921

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)N(C)C)cc2c1
InChIInChI=1S/C18H21N3OS/c1-12-6-7-14-13(9-12)10-15(20-14)18(22)19-11-16(21(2)3)17-5-4-8-23-17/h4-10,16,20H,11H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyPSFADPWRLITTTO-MRXNPFEDSA-N
MW327.45 g/mol
LogP3.57
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 36709921) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID36709921
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)N(C)C)cc2c1
InChIInChI=1S/C18H21N3OS/c1-12-6-7-14-13(9-12)10-15(20-14)18(22)19-11-16(21(2)3)17-5-4-8-23-17/h4-10,16,20H,11H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyPSFADPWRLITTTO-MRXNPFEDSA-N
XLogP3.57
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 134002449
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43045162
5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 39988576
6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 55597884
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480375
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480374
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 43843611
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide (CID 36709921) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)N(C)C)cc2c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is PSFADPWRLITTTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-6-7-14-13(9-12)10-15(20-14)18(22)19-11-16(21(2)3)17-5-4-8-23-17/h4-10,16,20H,11H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 36709921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).