N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide

C22H25ClN4O5S — CID 171395570

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc2c(c(S(=O)(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c1)NC(=O)C2
InChIInChI=1S/C22H25ClN4O5S/c1-14-9-15-11-20(28)25-22(15)19(10-14)33(30,31)26(2)13-21(29)24-16-3-4-18(17(23)12-16)27-5-7-32-8-6-27/h3-4,9-10,12H,5-8,11,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyNZHGRTTUZPFLHP-UHFFFAOYSA-N
MW492.99 g/mol
LogP2.24
Rot. Bonds6

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide (PubChem CID 171395570) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide
PubChem CID171395570
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc2c(c(S(=O)(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c1)NC(=O)C2
InChIInChI=1S/C22H25ClN4O5S/c1-14-9-15-11-20(28)25-22(15)19(10-14)33(30,31)26(2)13-21(29)24-16-3-4-18(17(23)12-16)27-5-7-32-8-6-27/h3-4,9-10,12H,5-8,11,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyNZHGRTTUZPFLHP-UHFFFAOYSA-N
XLogP2.24
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
CID 171442889
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442771
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 823754
2-[methyl-[(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
CID 171904422
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide (CID 171395570) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide is Cc1cc2c(c(S(=O)(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c1)NC(=O)C2.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide?
The InChIKey is NZHGRTTUZPFLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c1-14-9-15-11-20(28)25-22(15)19(10-14)33(30,31)26(2)13-21(29)24-16-3-4-18(17(23)12-16)27-5-7-32-8-6-27/h3-4,9-10,12H,5-8,11,13H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide has a molecular weight of 492.99 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 171395570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).