2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

C16H18N2O3S2 — CID 2572446

IUPAC2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-12(13-7-9-15(10-8-13)23(17,20)21)18-16(19)11-22-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1
InChIKeyBODARHYKWNNKCM-LBPRGKRZSA-N
MW350.47 g/mol
LogP2.30
Rot. Bonds6

About 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2572446) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2572446
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-12(13-7-9-15(10-8-13)23(17,20)21)18-16(19)11-22-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1
InChIKeyBODARHYKWNNKCM-LBPRGKRZSA-N
XLogP2.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633335
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 9373222

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 2572446) is 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is C[C@H](NC(=O)CSc1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is BODARHYKWNNKCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12(13-7-9-15(10-8-13)23(17,20)21)18-16(19)11-22-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1.
What are the key properties of 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2572446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).