3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide

C19H20N4O2S — CID 170976851

IUPAC3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCCOc1ccc(SNc2cccc(C(=O)Nc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-25-17-7-9-18(10-8-17)26-22-15-6-4-5-14(11-15)19(24)21-16-12-20-23(2)13-16/h4-13,22H,3H2,1-2H3,(H,21,24)
InChIKeyQYUGCJMNLSMFFI-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.19
Rot. Bonds7

About 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide

3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 170976851) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID170976851
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCCOc1ccc(SNc2cccc(C(=O)Nc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-25-17-7-9-18(10-8-17)26-22-15-6-4-5-14(11-15)19(24)21-16-12-20-23(2)13-16/h4-13,22H,3H2,1-2H3,(H,21,24)
InChIKeyQYUGCJMNLSMFFI-UHFFFAOYSA-N
XLogP4.19
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60817007
3-(3-aminoprop-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60822281
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
CID 170977062
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(1-methylpyrazol-3-yl)-3-(phenylsulfanylamino)benzamide
CID 170977031

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide (CID 170976851) is 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide is CCOc1ccc(SNc2cccc(C(=O)Nc3cnn(C)c3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is QYUGCJMNLSMFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-25-17-7-9-18(10-8-17)26-22-15-6-4-5-14(11-15)19(24)21-16-12-20-23(2)13-16/h4-13,22H,3H2,1-2H3,(H,21,24).
What are the key properties of 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide?
3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 170976851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).