N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide

C17H23NO3S2 — CID 142642973

IUPACN-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide
SMILESC[C@H](CO)N(Cc1ccccc1)S(=O)(=O)CCCc1cccs1
InChIInChI=1S/C17H23NO3S2/c1-15(14-19)18(13-16-7-3-2-4-8-16)23(20,21)12-6-10-17-9-5-11-22-17/h2-5,7-9,11,15,19H,6,10,12-14H2,1H3/t15-/m1/s1
InChIKeyFXBPVGFLPSPZTO-OAHLLOKOSA-N
MW353.51 g/mol
LogP2.89
Rot. Bonds9

About N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide

N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide (PubChem CID 142642973) has the molecular formula C17H23NO3S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide
PubChem CID142642973
Molecular FormulaC17H23NO3S2
Molecular Weight353.51 g/mol
Exact Mass353.11
IUPAC NameN-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide
SMILESC[C@H](CO)N(Cc1ccccc1)S(=O)(=O)CCCc1cccs1
InChIInChI=1S/C17H23NO3S2/c1-15(14-19)18(13-16-7-3-2-4-8-16)23(20,21)12-6-10-17-9-5-11-22-17/h2-5,7-9,11,15,19H,6,10,12-14H2,1H3/t15-/m1/s1
InChIKeyFXBPVGFLPSPZTO-OAHLLOKOSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]butanoate
CID 61460631
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-benzyl-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 43001354
N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-1,3-benzodioxole-5-sulfonamide
CID 91511303
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
N-benzyl-2-[butan-2-yl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032302
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
3-thiophen-2-ylpropan-1-ol
CID 13109866

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide?
The IUPAC name of N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide (CID 142642973) is N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide is C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)CCCc1cccs1.
What is the InChIKey of N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide?
The InChIKey is FXBPVGFLPSPZTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3S2/c1-15(14-19)18(13-16-7-3-2-4-8-16)23(20,21)12-6-10-17-9-5-11-22-17/h2-5,7-9,11,15,19H,6,10,12-14H2,1H3/t15-/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide?
N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide has a molecular weight of 353.51 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-3-thiophen-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 142642973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).