2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C18H23N5O3S — CID 110335644

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N5O3S/c1-12-18(13(2)22-21-12)27(25,26)23(3)11-17(24)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9,11H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyXYPAZHBVXASFAG-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.49
Rot. Bonds7

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 110335644) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID110335644
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N5O3S/c1-12-18(13(2)22-21-12)27(25,26)23(3)11-17(24)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9,11H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyXYPAZHBVXASFAG-UHFFFAOYSA-N
XLogP1.49
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 17470412
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110335622
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113148681
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50787570
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 110335644) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is XYPAZHBVXASFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12-18(13(2)22-21-12)27(25,26)23(3)11-17(24)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9,11H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 110335644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).