4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide

C16H18N2O3S2 — CID 12954886

IUPAC4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S2/c17-23(20,21)15-10-8-13(9-11-15)18-16(19)7-4-12-22-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)(H2,17,20,21)
InChIKeyGFYKFNNLEAQRPN-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.85
Rot. Bonds7

About 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide

4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide (PubChem CID 12954886) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
PubChem CID12954886
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S2/c17-23(20,21)15-10-8-13(9-11-15)18-16(19)7-4-12-22-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)(H2,17,20,21)
InChIKeyGFYKFNNLEAQRPN-UHFFFAOYSA-N
XLogP2.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 18075261
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
N'-[4-(difluoromethylsulfonyl)phenyl]-4-phenylsulfanylbutanehydrazide
CID 86889729
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
(E)-4-oxo-4-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylanilino]but-2-enoic acid
CID 22786162
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330
3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25392998

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide (CID 12954886) is 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide is NS(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1.
What is the InChIKey of 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is GFYKFNNLEAQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c17-23(20,21)15-10-8-13(9-11-15)18-16(19)7-4-12-22-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide?
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 350.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 12954886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).