N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide

C11H16N2O3S2 — CID 23645368

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1
InChIInChI=1S/C11H16N2O3S2/c12-18(15,16)10-3-1-9(2-4-10)5-7-13-11(14)6-8-17/h1-4,17H,5-8H2,(H,13,14)(H2,12,15,16)
InChIKeyJZKNJCVXNLUHEL-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.31
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide

N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide (PubChem CID 23645368) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
PubChem CID23645368
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1
InChIInChI=1S/C11H16N2O3S2/c12-18(15,16)10-3-1-9(2-4-10)5-7-13-11(14)6-8-17/h1-4,17H,5-8H2,(H,13,14)(H2,12,15,16)
InChIKeyJZKNJCVXNLUHEL-UHFFFAOYSA-N
XLogP0.31
TPSA89.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide
CID 1759
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide (CID 23645368) is N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide?
The InChIKey is JZKNJCVXNLUHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c12-18(15,16)10-3-1-9(2-4-10)5-7-13-11(14)6-8-17/h1-4,17H,5-8H2,(H,13,14)(H2,12,15,16).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide?
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 23645368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).