N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide

C17H21NO3S2 — CID 95379496

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)s1
InChIInChI=1S/C17H21NO3S2/c1-2-15-10-11-16(22-15)23(20,21)18-12-17(19,14-8-9-14)13-6-4-3-5-7-13/h3-7,10-11,14,18-19H,2,8-9,12H2,1H3/t17-/m1/s1
InChIKeyHBNPPSBKCOUEQW-QGZVFWFLSA-N
MW351.49 g/mol
LogP2.89
Rot. Bonds7

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 95379496) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID95379496
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)s1
InChIInChI=1S/C17H21NO3S2/c1-2-15-10-11-16(22-15)23(20,21)18-12-17(19,14-8-9-14)13-6-4-3-5-7-13/h3-7,10-11,14,18-19H,2,8-9,12H2,1H3/t17-/m1/s1
InChIKeyHBNPPSBKCOUEQW-QGZVFWFLSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5-methylthiophene-2-sulfonamide
CID 56765475
5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 71781999
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
(S)-1,1,1-trifluoro-2-phenyl-3-(2-thienylsulfonylamino)-2-propanol
CID 95376529
(R)-1-cyclopropyl-2-(o-fluorophenylsulfonylamino)-1-(2-thienyl)-1-ethanol
CID 95982755
(S)-2-(1-benzothiophen-2-yl)-1-(o-fluorophenylsulfonylamino)-2-propanol
CID 99980328
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
N-[2-Cyclopropyl-2-hydroxy-2-(thiophen-2-YL)ethyl]thiophene-2-sulfonamide
CID 71781747
N-(2-hydroxy-2-(thiophen-2-yl)propyl)-2,4,5-trimethylbenzenesulfonamide
CID 71782473
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-5-methylthiophene-2-sulfonamide
CID 86264006
(E)-N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-phenylethenesulfonamide
CID 86264007
N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)methanesulfonamide
CID 86264192

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide (CID 95379496) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)s1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is HBNPPSBKCOUEQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-2-15-10-11-16(22-15)23(20,21)18-12-17(19,14-8-9-14)13-6-4-3-5-7-13/h3-7,10-11,14,18-19H,2,8-9,12H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 351.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 95379496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).