N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide

C13H16N2O4S3 — CID 9151636

IUPACN-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S3/c1-2-21(16,17)15-10-12(11-5-3-7-14-9-11)22(18,19)13-6-4-8-20-13/h3-9,12,15H,2,10H2,1H3/t12-/m0/s1
InChIKeyRROVMPSMSMLHLY-LBPRGKRZSA-N
MW360.48 g/mol
LogP1.60
Rot. Bonds7

About N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide

N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide (PubChem CID 9151636) has the molecular formula C13H16N2O4S3 and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
PubChem CID9151636
Molecular FormulaC13H16N2O4S3
Molecular Weight360.48 g/mol
Exact Mass360.03
IUPAC NameN-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S3/c1-2-21(16,17)15-10-12(11-5-3-7-14-9-11)22(18,19)13-6-4-8-20-13/h3-9,12,15H,2,10H2,1H3/t12-/m0/s1
InChIKeyRROVMPSMSMLHLY-LBPRGKRZSA-N
XLogP1.60
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide 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

4-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995693
4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 40903607
5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
CID 40903625
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 21007549
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide?
The IUPAC name of N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide (CID 9151636) is N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide?
The InChIKey is RROVMPSMSMLHLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O4S3/c1-2-21(16,17)15-10-12(11-5-3-7-14-9-11)22(18,19)13-6-4-8-20-13/h3-9,12,15H,2,10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide?
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide is sourced from PubChem (CID 9151636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).