N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide

C16H18N4O3S — CID 71978364

IUPACN-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H18N4O3S/c1-2-20-11-13(10-18-20)24(22,23)19-16(21)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-11,17H,2,7-8H2,1H3,(H,19,21)
InChIKeyOCCRKYLBCWMQCF-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.82
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide

N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide (PubChem CID 71978364) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
PubChem CID71978364
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H18N4O3S/c1-2-20-11-13(10-18-20)24(22,23)19-16(21)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-11,17H,2,7-8H2,1H3,(H,19,21)
InChIKeyOCCRKYLBCWMQCF-UHFFFAOYSA-N
XLogP1.82
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide (CID 71978364) is N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide is CCn1cc(S(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is OCCRKYLBCWMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-2-20-11-13(10-18-20)24(22,23)19-16(21)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-11,17H,2,7-8H2,1H3,(H,19,21).
What are the key properties of N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 346.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 71978364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).