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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 25013653
CID 25013653
CID 9897637
CID 9897637
CID 44389534
CID 44389534
CID 3161294
CID 3161294
CID 23815446
CID 23815446
CID 23900125
CID 23900125
CID 44341344
CID 44341344
CID 44398569
CID 44398569
CID 145977353
CID 145977353
CID 73354082
CID 73354082
CID 155556484
CID 155556484
CID 117905406
CID 117905406

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).