N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C17H18N4O3S2 — CID 55970450

IUPACN-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H18N4O3S2/c1-13(20-26(23,24)16-4-2-11-25-16)17(22)19-15-7-5-14(6-8-15)12-21-10-3-9-18-21/h2-11,13,20H,12H2,1H3,(H,19,22)
InChIKeySDPFHGFWDPRDJQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.30
Rot. Bonds7

About N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55970450) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55970450
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H18N4O3S2/c1-13(20-26(23,24)16-4-2-11-25-16)17(22)19-15-7-5-14(6-8-15)12-21-10-3-9-18-21/h2-11,13,20H,12H2,1H3,(H,19,22)
InChIKeySDPFHGFWDPRDJQ-UHFFFAOYSA-N
XLogP2.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 47321746
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871
1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 95266017
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
(2R)-N-(1H-pyrazol-5-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 95280952
N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55970055
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55970450) is N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is SDPFHGFWDPRDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-13(20-26(23,24)16-4-2-11-25-16)17(22)19-15-7-5-14(6-8-15)12-21-10-3-9-18-21/h2-11,13,20H,12H2,1H3,(H,19,22).
What are the key properties of N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 390.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55970450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).