N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide

C19H21N3OS2 — CID 131703199

IUPACN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(c1csc2ccccc12)N(C)C
InChIInChI=1S/C19H21N3OS2/c1-22(2)16(15-12-25-17-9-5-4-7-13(15)17)11-21-18(23)14-8-6-10-20-19(14)24-3/h4-10,12,16H,11H2,1-3H3,(H,21,23)
InChIKeyYDCVXWGVNADCOE-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 131703199) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID131703199
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(c1csc2ccccc12)N(C)C
InChIInChI=1S/C19H21N3OS2/c1-22(2)16(15-12-25-17-9-5-4-7-13(15)17)11-21-18(23)14-8-6-10-20-19(14)24-3/h4-10,12,16H,11H2,1-3H3,(H,21,23)
InChIKeyYDCVXWGVNADCOE-UHFFFAOYSA-N
XLogP4.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide
CID 121023264
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121023288
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 131703199) is N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(c1csc2ccccc12)N(C)C.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is YDCVXWGVNADCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-22(2)16(15-12-25-17-9-5-4-7-13(15)17)11-21-18(23)14-8-6-10-20-19(14)24-3/h4-10,12,16H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 131703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).