N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide

C20H25N3O2S — CID 70719444

IUPACN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCC(c1sccc1C)N(C)C)n2C
InChIInChI=1S/C20H25N3O2S/c1-13-8-9-26-19(13)18(22(2)3)12-21-20(24)17-11-14-10-15(25-5)6-7-16(14)23(17)4/h6-11,18H,12H2,1-5H3,(H,21,24)
InChIKeyJCBIETYSDGVDGX-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide

N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 70719444) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID70719444
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCC(c1sccc1C)N(C)C)n2C
InChIInChI=1S/C20H25N3O2S/c1-13-8-9-26-19(13)18(22(2)3)12-21-20(24)17-11-14-10-15(25-5)6-7-16(14)23(17)4/h6-11,18H,12H2,1-5H3,(H,21,24)
InChIKeyJCBIETYSDGVDGX-UHFFFAOYSA-N
XLogP3.59
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97116216
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56885380
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
CID 4837910
N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide (CID 70719444) is N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NCC(c1sccc1C)N(C)C)n2C.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is JCBIETYSDGVDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13-8-9-26-19(13)18(22(2)3)12-21-20(24)17-11-14-10-15(25-5)6-7-16(14)23(17)4/h6-11,18H,12H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide?
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 70719444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).