N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide

C19H17N3OS — CID 170977094

IUPACN-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(NSc2ccccc2)c1
InChIInChI=1S/C19H17N3OS/c1-14-7-6-12-20-18(14)21-19(23)15-8-5-9-16(13-15)22-24-17-10-3-2-4-11-17/h2-13,22H,1H3,(H,20,21,23)
InChIKeyPWHJHPFFXXXALS-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.76
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide

N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide (PubChem CID 170977094) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
PubChem CID170977094
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(NSc2ccccc2)c1
InChIInChI=1S/C19H17N3OS/c1-14-7-6-12-20-18(14)21-19(23)15-8-5-9-16(13-15)22-24-17-10-3-2-4-11-17/h2-13,22H,1H3,(H,20,21,23)
InChIKeyPWHJHPFFXXXALS-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
CID 170977014
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
N-(1-methylpyrazol-3-yl)-3-(phenylsulfanylamino)benzamide
CID 170977031
3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
CID 35033473
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
4-(methylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 55042397
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 35033379
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide
CID 103610894

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide (CID 170977094) is N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide is Cc1cccnc1NC(=O)c1cccc(NSc2ccccc2)c1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide?
The InChIKey is PWHJHPFFXXXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14-7-6-12-20-18(14)21-19(23)15-8-5-9-16(13-15)22-24-17-10-3-2-4-11-17/h2-13,22H,1H3,(H,20,21,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide?
N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide is sourced from PubChem (CID 170977094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).