N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide

C14H20N6O3S — CID 135107481

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCCc2nc(N)n[nH]2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N6O3S/c1-10-3-5-11(6-4-10)20(24(2,22)23)9-13(21)16-8-7-12-17-14(15)19-18-12/h3-6H,7-9H2,1-2H3,(H,16,21)(H3,15,17,18,19)
InChIKeyURIADTVQLAAXGI-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.18
Rot. Bonds7

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 135107481) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
PubChem CID135107481
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCCc2nc(N)n[nH]2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N6O3S/c1-10-3-5-11(6-4-10)20(24(2,22)23)9-13(21)16-8-7-12-17-14(15)19-18-12/h3-6H,7-9H2,1-2H3,(H,16,21)(H3,15,17,18,19)
InChIKeyURIADTVQLAAXGI-UHFFFAOYSA-N
XLogP-0.18
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2292030
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611
2-(4-bromo-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51342685
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30253980
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 46364496
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30242436
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219444

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide (CID 135107481) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NCCc2nc(N)n[nH]2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is URIADTVQLAAXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-10-3-5-11(6-4-10)20(24(2,22)23)9-13(21)16-8-7-12-17-14(15)19-18-12/h3-6H,7-9H2,1-2H3,(H,16,21)(H3,15,17,18,19).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 352.42 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 135107481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).