N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide

C23H26ClN5O4S — CID 164573440

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)S(=O)(=O)c1cc(C2CC2)cc2cn[nH]c12
InChIInChI=1S/C23H26ClN5O4S/c1-28(34(31,32)21-11-16(15-2-3-15)10-17-13-25-27-23(17)21)14-22(30)26-18-4-5-20(19(24)12-18)29-6-8-33-9-7-29/h4-5,10-13,15H,2-3,6-9,14H2,1H3,(H,25,27)(H,26,30)
InChIKeyACBNDGUWEZOCMU-UHFFFAOYSA-N
MW504.01 g/mol
LogP3.19
Rot. Bonds7

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide (PubChem CID 164573440) has the molecular formula C23H26ClN5O4S and a molecular weight of 504.01 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide
PubChem CID164573440
Molecular FormulaC23H26ClN5O4S
Molecular Weight504.01 g/mol
Exact Mass503.14
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)S(=O)(=O)c1cc(C2CC2)cc2cn[nH]c12
InChIInChI=1S/C23H26ClN5O4S/c1-28(34(31,32)21-11-16(15-2-3-15)10-17-13-25-27-23(17)21)14-22(30)26-18-4-5-20(19(24)12-18)29-6-8-33-9-7-29/h4-5,10-13,15H,2-3,6-9,14H2,1H3,(H,25,27)(H,26,30)
InChIKeyACBNDGUWEZOCMU-UHFFFAOYSA-N
XLogP3.19
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide (CID 164573440) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)S(=O)(=O)c1cc(C2CC2)cc2cn[nH]c12.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide?
The InChIKey is ACBNDGUWEZOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O4S/c1-28(34(31,32)21-11-16(15-2-3-15)10-17-13-25-27-23(17)21)14-22(30)26-18-4-5-20(19(24)12-18)29-6-8-33-9-7-29/h4-5,10-13,15H,2-3,6-9,14H2,1H3,(H,25,27)(H,26,30).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide has a molecular weight of 504.01 g/mol, XLogP of 3.19, 7 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-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 164573440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).