3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide

C17H14N4OS — CID 170977014

IUPAC3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1cccc(NSc2ccccc2)c1
InChIInChI=1S/C17H14N4OS/c22-17(20-16-12-18-9-10-19-16)13-5-4-6-14(11-13)21-23-15-7-2-1-3-8-15/h1-12,21H,(H,19,20,22)
InChIKeyMONRDHCBAJOROT-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.85
Rot. Bonds5

About 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide

3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide (PubChem CID 170977014) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
PubChem CID170977014
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1cccc(NSc2ccccc2)c1
InChIInChI=1S/C17H14N4OS/c22-17(20-16-12-18-9-10-19-16)13-5-4-6-14(11-13)21-23-15-7-2-1-3-8-15/h1-12,21H,(H,19,20,22)
InChIKeyMONRDHCBAJOROT-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
CID 170977094
N-(1-methylpyrazol-3-yl)-3-(phenylsulfanylamino)benzamide
CID 170977031
N-benzyl-3-(pyrazin-2-ylamino)benzamide
CID 117091377
3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
3-(4-hydroxybut-1-ynyl)-N-pyrazin-2-ylbenzamide
CID 60817360
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
CID 117092864
N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
CID 170977185
3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
CID 47090619
4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide (CID 170977014) is 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1cccc(NSc2ccccc2)c1.
What is the InChIKey of 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide?
The InChIKey is MONRDHCBAJOROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-17(20-16-12-18-9-10-19-16)13-5-4-6-14(11-13)21-23-15-7-2-1-3-8-15/h1-12,21H,(H,19,20,22).
What are the key properties of 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide?
3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide has a molecular weight of 322.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 170977014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).