N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

C12H15NO3S3 — CID 97417504

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cccs1)c1ccc(C)s1
InChIInChI=1S/C12H15NO3S3/c1-9-5-6-11(18-9)10(16-2)8-13-19(14,15)12-4-3-7-17-12/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1
InChIKeyOZJMWSSAVJIYIP-JTQLQIEISA-N
MW317.46 g/mol
LogP2.78
Rot. Bonds6

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 97417504) has the molecular formula C12H15NO3S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID97417504
Molecular FormulaC12H15NO3S3
Molecular Weight317.46 g/mol
Exact Mass317.02
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cccs1)c1ccc(C)s1
InChIInChI=1S/C12H15NO3S3/c1-9-5-6-11(18-9)10(16-2)8-13-19(14,15)12-4-3-7-17-12/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1
InChIKeyOZJMWSSAVJIYIP-JTQLQIEISA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(o-fluorophenylsulfonyl)[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]amine
CID 97417510
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 71781697
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide
CID 90598457
(S)-2-methoxy-2-(5-methyl-2-thienyl)ethylamine
CID 93949940
(5-ethyl-2-thienylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414473
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]thiophene-2-sulfonamide
CID 96350509
N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
CID 164636569
2-fluoro-N-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)benzenesulfonamide
CID 71810395
2-fluoro-N-(2-methoxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 90584014
4-fluoro-N-(2-methoxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 90584015
3-fluoro-N-(2-methoxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 90584016
4-fluoro-N-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)benzenesulfonamide
CID 90598464

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 97417504) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is CO[C@@H](CNS(=O)(=O)c1cccs1)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is OZJMWSSAVJIYIP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3S3/c1-9-5-6-11(18-9)10(16-2)8-13-19(14,15)12-4-3-7-17-12/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97417504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).