N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C18H18N4O2S — CID 170858626

IUPACN-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2S/c1-11(17(23)20-14-9-5-6-10-15(14)25-2)19-18(24)16-12-7-3-4-8-13(12)21-22-16/h3-11H,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyTVQGZUDFDGRJQR-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 170858626) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID170858626
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2S/c1-11(17(23)20-14-9-5-6-10-15(14)25-2)19-18(24)16-12-7-3-4-8-13(12)21-22-16/h3-11H,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyTVQGZUDFDGRJQR-UHFFFAOYSA-N
XLogP3.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 154794888
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887339
N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 94750012
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 170858626) is N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CSc1ccccc1NC(=O)C(C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is TVQGZUDFDGRJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11(17(23)20-14-9-5-6-10-15(14)25-2)19-18(24)16-12-7-3-4-8-13(12)21-22-16/h3-11H,1-2H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).