N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide

C14H17NO5S2 — CID 6930511

IUPACN-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
SMILESCOc1ccc(OC[C@@H](O)CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17NO5S2/c1-19-12-4-6-13(7-5-12)20-10-11(16)9-15-22(17,18)14-3-2-8-21-14/h2-8,11,15-16H,9-10H2,1H3/t11-/m0/s1
InChIKeyWOYJFLCQTWDXKT-NSHDSACASA-N
MW343.43 g/mol
LogP1.47
Rot. Bonds8

About N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide

N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide (PubChem CID 6930511) has the molecular formula C14H17NO5S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
PubChem CID6930511
Molecular FormulaC14H17NO5S2
Molecular Weight343.43 g/mol
Exact Mass343.05
IUPAC NameN-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
SMILESCOc1ccc(OC[C@@H](O)CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17NO5S2/c1-19-12-4-6-13(7-5-12)20-10-11(16)9-15-22(17,18)14-3-2-8-21-14/h2-8,11,15-16H,9-10H2,1H3/t11-/m0/s1
InChIKeyWOYJFLCQTWDXKT-NSHDSACASA-N
XLogP1.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 2812612
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
CID 6975848
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
1-[4-(aminomethyl)phenoxy]-3-thiophen-2-ylsulfonylpropan-2-ol
CID 64698405

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide (CID 6930511) is N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide is COc1ccc(OC[C@@H](O)CNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide?
The InChIKey is WOYJFLCQTWDXKT-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO5S2/c1-19-12-4-6-13(7-5-12)20-10-11(16)9-15-22(17,18)14-3-2-8-21-14/h2-8,11,15-16H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide?
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide has a molecular weight of 343.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6930511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).