2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C15H24N2O3S2 — CID 134037901

IUPAC2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCCCCSC(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S2/c1-4-5-10-21-12(3)15(18)17-11(2)13-6-8-14(9-7-13)22(16,19)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyTVWCZDNJCNTLJY-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.43
Rot. Bonds8

About 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 134037901) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID134037901
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCCCCSC(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S2/c1-4-5-10-21-12(3)15(18)17-11(2)13-6-8-14(9-7-13)22(16,19)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyTVWCZDNJCNTLJY-UHFFFAOYSA-N
XLogP2.43
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.43
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

(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
2-butylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55963010
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
(2R)-2-butylsulfanyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 94677261
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32727461
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
CID 60546759

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 134037901) is 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CCCCSC(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is TVWCZDNJCNTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-4-5-10-21-12(3)15(18)17-11(2)13-6-8-14(9-7-13)22(16,19)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 134037901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).