N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide

C26H30N4O4S — CID 122697934

IUPACN-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(OCCn3ccc(C)n3)cc12
InChIInChI=1S/C26H30N4O4S/c1-18-5-8-23(9-6-18)35(32,33)30-20(3)24(11-13-27-21(4)31)25-17-22(7-10-26(25)30)34-16-15-29-14-12-19(2)28-29/h5-10,12,14,17H,11,13,15-16H2,1-4H3,(H,27,31)
InChIKeyHDMUCGPKHIQKCM-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.76
Rot. Bonds9

About N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide

N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide (PubChem CID 122697934) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide
PubChem CID122697934
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(OCCn3ccc(C)n3)cc12
InChIInChI=1S/C26H30N4O4S/c1-18-5-8-23(9-6-18)35(32,33)30-20(3)24(11-13-27-21(4)31)25-17-22(7-10-26(25)30)34-16-15-29-14-12-19(2)28-29/h5-10,12,14,17H,11,13,15-16H2,1-4H3,(H,27,31)
InChIKeyHDMUCGPKHIQKCM-UHFFFAOYSA-N
XLogP3.76
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[2-[3-(2-acetamidoethyl)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindol-5-yl]oxyethyl]carbamate
CID 122698086
5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-prop-2-enylindole
CID 71722470
5-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]pentan-2-one
CID 161490684
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
N-[2-[6-fluoro-5-[2-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]ethoxy]-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide
CID 122684778
2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate
CID 583695
N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
CID 70638199
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874
N'-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethoxy]benzenecarboximidamide
CID 77037818
N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
CID 125463928

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide (CID 122697934) is N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(OCCn3ccc(C)n3)cc12.
What is the InChIKey of N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide?
The InChIKey is HDMUCGPKHIQKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-5-8-23(9-6-18)35(32,33)30-20(3)24(11-13-27-21(4)31)25-17-22(7-10-26(25)30)34-16-15-29-14-12-19(2)28-29/h5-10,12,14,17H,11,13,15-16H2,1-4H3,(H,27,31).
What are the key properties of N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide?
N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide has a molecular weight of 494.62 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-[2-(3-methylpyrazol-1-yl)ethoxy]indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 122697934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).