2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide

C20H17N3OS — CID 91630228

IUPAC2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C20H17N3OS/c24-19(13-23-10-7-15-4-1-2-6-18(15)23)22-12-16-5-3-9-21-20(16)17-8-11-25-14-17/h1-11,14H,12-13H2,(H,22,24)
InChIKeyNSRKZWHJTQOHIN-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.08
Rot. Bonds5

About 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide

2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91630228) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID91630228
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C20H17N3OS/c24-19(13-23-10-7-15-4-1-2-6-18(15)23)22-12-16-5-3-9-21-20(16)17-8-11-25-14-17/h1-11,14H,12-13H2,(H,22,24)
InChIKeyNSRKZWHJTQOHIN-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
CID 71915489
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
1-ethyl-7-methyl-4-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 121177750
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
2-(4-propan-2-ylphenoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177656
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide (CID 91630228) is 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide is O=C(Cn1ccc2ccccc21)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is NSRKZWHJTQOHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-19(13-23-10-7-15-4-1-2-6-18(15)23)22-12-16-5-3-9-21-20(16)17-8-11-25-14-17/h1-11,14H,12-13H2,(H,22,24).
What are the key properties of 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).