5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide

C21H21NO2S2 — CID 141117906

IUPAC5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cc3ccccc3)s2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H21NO2S2/c1-15-20(17-10-6-3-7-11-17)21(15)22-26(23,24)19-13-12-18(25-19)14-16-8-4-2-5-9-16/h2-13,15,20-22H,14H2,1H3/t15-,20-,21+/m0/s1
InChIKeyMOMFVIXLKWPDTI-ONGXBYRLSA-N
MW383.54 g/mol
LogP4.42
Rot. Bonds6

About 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide

5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 141117906) has the molecular formula C21H21NO2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID141117906
Molecular FormulaC21H21NO2S2
Molecular Weight383.54 g/mol
Exact Mass383.10
IUPAC Name5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cc3ccccc3)s2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H21NO2S2/c1-15-20(17-10-6-3-7-11-17)21(15)22-26(23,24)19-13-12-18(25-19)14-16-8-4-2-5-9-16/h2-13,15,20-22H,14H2,1H3/t15-,20-,21+/m0/s1
InChIKeyMOMFVIXLKWPDTI-ONGXBYRLSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67524298
5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67526376
N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-5-quinoxalin-2-ylthiophene-2-sulfonamide
CID 67526308
5-(2,1,3-benzothiadiazol-5-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67525907
carbonic acid;5-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67525947
carbonic acid;N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 67525406
N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]thiophene-2-sulfonamide
CID 67526485
carbonic acid;5-(4-chloro-2-fluorophenyl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67524691
5-(4-ethynylpyrazol-1-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 87432379
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087833
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide (CID 141117906) is 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide is C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cc3ccccc3)s2)[C@@H]1c1ccccc1.
What is the InChIKey of 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is MOMFVIXLKWPDTI-ONGXBYRLSA-N. The full InChI is InChI=1S/C21H21NO2S2/c1-15-20(17-10-6-3-7-11-17)21(15)22-26(23,24)19-13-12-18(25-19)14-16-8-4-2-5-9-16/h2-13,15,20-22H,14H2,1H3/t15-,20-,21+/m0/s1.
What are the key properties of 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 383.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 141117906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).