2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide

C21H25N3O4S2 — CID 86904188

IUPAC2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
SMILESCCc1cccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)c[nH]c12
InChIInChI=1S/C21H25N3O4S2/c1-2-15-4-3-5-18-16(13-23-21(15)18)12-19(25)22-14-17-6-7-20(29-17)30(26,27)24-8-10-28-11-9-24/h3-7,13,23H,2,8-12,14H2,1H3,(H,22,25)
InChIKeyBDPFTBFPHAIYGF-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.67
Rot. Bonds7

About 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide

2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide (PubChem CID 86904188) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
PubChem CID86904188
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
SMILESCCc1cccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)c[nH]c12
InChIInChI=1S/C21H25N3O4S2/c1-2-15-4-3-5-18-16(13-23-21(15)18)12-19(25)22-14-17-6-7-20(29-17)30(26,27)24-8-10-28-11-9-24/h3-7,13,23H,2,8-12,14H2,1H3,(H,22,25)
InChIKeyBDPFTBFPHAIYGF-UHFFFAOYSA-N
XLogP2.67
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
CID 41191116
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
CID 16602108
1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
CID 55758321
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228132
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
(2,6-dimethylphenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 8765732

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide (CID 86904188) is 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide is CCc1cccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide?
The InChIKey is BDPFTBFPHAIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-2-15-4-3-5-18-16(13-23-21(15)18)12-19(25)22-14-17-6-7-20(29-17)30(26,27)24-8-10-28-11-9-24/h3-7,13,23H,2,8-12,14H2,1H3,(H,22,25).
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide?
2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 86904188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).