N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide

C22H26N4O4S — CID 25342748

IUPACN-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N4O4S/c1-2-23-20-8-7-17(31(28,29)26-9-11-30-12-10-26)14-21(20)25-22(27)13-16-15-24-19-6-4-3-5-18(16)19/h3-8,14-15,23-24H,2,9-13H2,1H3,(H,25,27)
InChIKeyXKNUJJHLDSCMTD-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.80
Rot. Bonds7

About N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide

N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 25342748) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID25342748
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N4O4S/c1-2-23-20-8-7-17(31(28,29)26-9-11-30-12-10-26)14-21(20)25-22(27)13-16-15-24-19-6-4-3-5-18(16)19/h3-8,14-15,23-24H,2,9-13H2,1H3,(H,25,27)
InChIKeyXKNUJJHLDSCMTD-UHFFFAOYSA-N
XLogP2.80
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119680614
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide
CID 4831808
(2S)-3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoic acid
CID 7062840
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide
CID 42948466
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 1272760
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 4816933
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
[2-(dimethylamino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoate
CID 4566238
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide (CID 25342748) is N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide is CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is XKNUJJHLDSCMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-2-23-20-8-7-17(31(28,29)26-9-11-30-12-10-26)14-21(20)25-22(27)13-16-15-24-19-6-4-3-5-18(16)19/h3-8,14-15,23-24H,2,9-13H2,1H3,(H,25,27).
What are the key properties of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 25342748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).