4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

C18H18N2O4S3 — CID 40903607

IUPAC4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O4S3/c1-14-6-8-16(9-7-14)27(23,24)20-13-17(15-4-2-10-19-12-15)26(21,22)18-5-3-11-25-18/h2-12,17,20H,13H2,1H3/t17-/m0/s1
InChIKeyYWERZIDEXWZSPZ-KRWDZBQOSA-N
MW422.55 g/mol
LogP2.95
Rot. Bonds7

About 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (PubChem CID 40903607) has the molecular formula C18H18N2O4S3 and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
PubChem CID40903607
Molecular FormulaC18H18N2O4S3
Molecular Weight422.55 g/mol
Exact Mass422.04
IUPAC Name4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O4S3/c1-14-6-8-16(9-7-14)27(23,24)20-13-17(15-4-2-10-19-12-15)26(21,22)18-5-3-11-25-18/h2-12,17,20H,13H2,1H3/t17-/m0/s1
InChIKeyYWERZIDEXWZSPZ-KRWDZBQOSA-N
XLogP2.95
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995693
4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 21007549
4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995702
5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
CID 40903625
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
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
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (CID 40903607) is 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The InChIKey is YWERZIDEXWZSPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O4S3/c1-14-6-8-16(9-7-14)27(23,24)20-13-17(15-4-2-10-19-12-15)26(21,22)18-5-3-11-25-18/h2-12,17,20H,13H2,1H3/t17-/m0/s1.
What are the key properties of 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 40903607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).