N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

C11H14N4O3S2 — CID 47321746

IUPACN-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O3S2/c1-8(11(16)12-9-5-6-15(2)13-9)14-20(17,18)10-4-3-7-19-10/h3-8,14H,1-2H3,(H,12,13,16)
InChIKeyKTWAXBHNLSPTTM-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.79
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 47321746) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID47321746
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC NameN-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O3S2/c1-8(11(16)12-9-5-6-15(2)13-9)14-20(17,18)10-4-3-7-19-10/h3-8,14H,1-2H3,(H,12,13,16)
InChIKeyKTWAXBHNLSPTTM-UHFFFAOYSA-N
XLogP0.79
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
(2R)-N-(1H-pyrazol-5-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 95280952
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911543
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 48529738
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide (CID 47321746) is N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccn(C)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is KTWAXBHNLSPTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-8(11(16)12-9-5-6-15(2)13-9)14-20(17,18)10-4-3-7-19-10/h3-8,14H,1-2H3,(H,12,13,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 314.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 47321746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).