2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide

C23H29N5O4S — CID 171442889

IUPAC2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)c(C)c1)S(=O)(=O)c1cc(C)cc2cn[nH]c12
InChIInChI=1S/C23H29N5O4S/c1-4-28(33(30,31)21-12-16(2)11-18-14-24-26-23(18)21)15-22(29)25-19-5-6-20(17(3)13-19)27-7-9-32-10-8-27/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyXKSXAVDLSBCIMK-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.67
Rot. Bonds7

About 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide

2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide (PubChem CID 171442889) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
PubChem CID171442889
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)c(C)c1)S(=O)(=O)c1cc(C)cc2cn[nH]c12
InChIInChI=1S/C23H29N5O4S/c1-4-28(33(30,31)21-12-16(2)11-18-14-24-26-23(18)21)15-22(29)25-19-5-6-20(17(3)13-19)27-7-9-32-10-8-27/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyXKSXAVDLSBCIMK-UHFFFAOYSA-N
XLogP2.67
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.67
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

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442771
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442855
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-[4-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]acetamide
CID 164573684
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-2-oxo-1,3-dihydroindol-7-yl)sulfonyl]amino]acetamide
CID 171395570
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
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-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 164573617
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
CID 36771575
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide (CID 171442889) is 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)c(C)c1)S(=O)(=O)c1cc(C)cc2cn[nH]c12.
What is the InChIKey of 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XKSXAVDLSBCIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-4-28(33(30,31)21-12-16(2)11-18-14-24-26-23(18)21)15-22(29)25-19-5-6-20(17(3)13-19)27-7-9-32-10-8-27/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,24,26)(H,25,29).
What are the key properties of 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 171442889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).