N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide

C17H18N2O3S — CID 57253110

IUPACN-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide
SMILESO=C(NCCOCc1ccccc1)N(S)C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-16(15-9-5-2-6-10-15)19(23)17(21)18-11-12-22-13-14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,18,21)
InChIKeyXVLIJRGVMWEHRT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.90
Rot. Bonds6

About N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide

N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide (PubChem CID 57253110) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide
PubChem CID57253110
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide
SMILESO=C(NCCOCc1ccccc1)N(S)C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-16(15-9-5-2-6-10-15)19(23)17(21)18-11-12-22-13-14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,18,21)
InChIKeyXVLIJRGVMWEHRT-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[benzyl(methyl)amino]ethoxy]propylcarbamoyl]-N-sulfanylbenzamide
CID 57080652
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
3,5-dinitro-N-(2-phenylmethoxyethyl)benzamide
CID 563554
4-nitro-N-(2-phenylmethoxyethyl)benzamide
CID 99818504
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide?
The IUPAC name of N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide (CID 57253110) is N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide.
What is the SMILES notation for N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide?
The canonical SMILES for N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide is O=C(NCCOCc1ccccc1)N(S)C(=O)c1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide?
The InChIKey is XVLIJRGVMWEHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(15-9-5-2-6-10-15)19(23)17(21)18-11-12-22-13-14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,18,21).
What are the key properties of N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide?
N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide is sourced from PubChem (CID 57253110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).