N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide

C19H22N2O3S2 — CID 38570641

IUPACN-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C19H22N2O3S2/c1-2-12-21-26(23,24)18-11-6-8-16(15-18)19(22)20-13-7-14-25-17-9-4-3-5-10-17/h2-6,8-11,15,21H,1,7,12-14H2,(H,20,22)
InChIKeyROWPDOMDELFLBZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.06
Rot. Bonds10

About N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide

N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 38570641) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID38570641
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C19H22N2O3S2/c1-2-12-21-26(23,24)18-11-6-8-16(15-18)19(22)20-13-7-14-25-17-9-4-3-5-10-17/h2-6,8-11,15,21H,1,7,12-14H2,(H,20,22)
InChIKeyROWPDOMDELFLBZ-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26635661
N-[4-(4-chloroanilino)-4-oxobutyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55862592
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
CID 27802378
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55717526
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 38570641) is N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCCCSc2ccccc2)c1.
What is the InChIKey of N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is ROWPDOMDELFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-2-12-21-26(23,24)18-11-6-8-16(15-18)19(22)20-13-7-14-25-17-9-4-3-5-10-17/h2-6,8-11,15,21H,1,7,12-14H2,(H,20,22).
What are the key properties of N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 390.53 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 38570641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).