5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide

C16H16N2O4S4 — CID 40903625

IUPAC5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)s1
InChIInChI=1S/C16H16N2O4S4/c1-12-6-7-16(24-12)26(21,22)18-11-14(13-4-2-8-17-10-13)25(19,20)15-5-3-9-23-15/h2-10,14,18H,11H2,1H3/t14-/m0/s1
InChIKeyYDXRMKNSRVPAJR-AWEZNQCLSA-N
MW428.58 g/mol
LogP3.01
Rot. Bonds7

About 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide

5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide (PubChem CID 40903625) has the molecular formula C16H16N2O4S4 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
PubChem CID40903625
Molecular FormulaC16H16N2O4S4
Molecular Weight428.58 g/mol
Exact Mass428.00
IUPAC Name5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)s1
InChIInChI=1S/C16H16N2O4S4/c1-12-6-7-16(24-12)26(21,22)18-11-14(13-4-2-8-17-10-13)25(19,20)15-5-3-9-23-15/h2-10,14,18H,11H2,1H3/t14-/m0/s1
InChIKeyYDXRMKNSRVPAJR-AWEZNQCLSA-N
XLogP3.01
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide with MolForge

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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
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995702
4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 21007549
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-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide (CID 40903625) is 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)s1.
What is the InChIKey of 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide?
The InChIKey is YDXRMKNSRVPAJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O4S4/c1-12-6-7-16(24-12)26(21,22)18-11-14(13-4-2-8-17-10-13)25(19,20)15-5-3-9-23-15/h2-10,14,18H,11H2,1H3/t14-/m0/s1.
What are the key properties of 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide?
5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide has a molecular weight of 428.58 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 40903625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).