N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide

C18H17N5O2S — CID 112767336

IUPACN-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)c1
InChIInChI=1S/C18H17N5O2S/c1-19-16(24)14-3-2-4-15(9-14)22-17(25)13-7-5-12(6-8-13)10-26-18-20-11-21-23-18/h2-9,11H,10H2,1H3,(H,19,24)(H,22,25)(H,20,21,23)
InChIKeyWSYQSHDMAOACFQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.71
Rot. Bonds6

About N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide

N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide (PubChem CID 112767336) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
PubChem CID112767336
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)c1
InChIInChI=1S/C18H17N5O2S/c1-19-16(24)14-3-2-4-15(9-14)22-17(25)13-7-5-12(6-8-13)10-26-18-20-11-21-23-18/h2-9,11H,10H2,1H3,(H,19,24)(H,22,25)(H,20,21,23)
InChIKeyWSYQSHDMAOACFQ-UHFFFAOYSA-N
XLogP2.71
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide 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-(phenylcarbamoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55515308
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209872
N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 20597602
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56521806
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55332136
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302
N-(2,3-dihydro-1H-inden-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 8001804
N-[4-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 31011314
N-[6-(dimethylamino)-3-pyridinyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 30217808
3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide
CID 17220582
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55505444
N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 20597751

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide (CID 112767336) is N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)c1.
What is the InChIKey of N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide?
The InChIKey is WSYQSHDMAOACFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-19-16(24)14-3-2-4-15(9-14)22-17(25)13-7-5-12(6-8-13)10-26-18-20-11-21-23-18/h2-9,11H,10H2,1H3,(H,19,24)(H,22,25)(H,20,21,23).
What are the key properties of N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide?
N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide has a molecular weight of 367.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 112767336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).