N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C22H24N4O5S — CID 2352943

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCn1c(O)c(/N=N/C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C22H24N4O5S/c1-25-19-5-3-2-4-18(19)21(22(25)28)24-23-20(27)11-8-16-6-9-17(10-7-16)32(29,30)26-12-14-31-15-13-26/h2-7,9-10,28H,8,11-15H2,1H3/b24-23+
InChIKeyYCQOLKARVHIWBN-WCWDXBQESA-N
MW456.52 g/mol
LogP3.15
Rot. Bonds6

About N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2352943) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2352943
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCn1c(O)c(/N=N/C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C22H24N4O5S/c1-25-19-5-3-2-4-18(19)21(22(25)28)24-23-20(27)11-8-16-6-9-17(10-7-16)32(29,30)26-12-14-31-15-13-26/h2-7,9-10,28H,8,11-15H2,1H3/b24-23+
InChIKeyYCQOLKARVHIWBN-WCWDXBQESA-N
XLogP3.15
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
CID 135898860
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 16623351
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
N-[[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2408540
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
CID 47081612

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2352943) is N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cn1c(O)c(/N=N/C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is YCQOLKARVHIWBN-WCWDXBQESA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-25-19-5-3-2-4-18(19)21(22(25)28)24-23-20(27)11-8-16-6-9-17(10-7-16)32(29,30)26-12-14-31-15-13-26/h2-7,9-10,28H,8,11-15H2,1H3/b24-23+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 456.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2352943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).