N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide

C17H18N6OS — CID 54126630

IUPACN-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCNc1ccc(CSc2nnnn2-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C17H18N6OS/c1-12(24)19-15-4-3-5-16(10-15)23-17(20-21-22-23)25-11-13-6-8-14(18-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,19,24)
InChIKeyNRKISCHYPMFCKP-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.95
Rot. Bonds6

About N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide

N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide (PubChem CID 54126630) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
PubChem CID54126630
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCNc1ccc(CSc2nnnn2-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C17H18N6OS/c1-12(24)19-15-4-3-5-16(10-15)23-17(20-21-22-23)25-11-13-6-8-14(18-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,19,24)
InChIKeyNRKISCHYPMFCKP-UHFFFAOYSA-N
XLogP2.95
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]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-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
N-(3-Acetylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648551
N-{3-[2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 651076
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(2,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-methyl-acetamide
CID 857583

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide (CID 54126630) is N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide is CNc1ccc(CSc2nnnn2-c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The InChIKey is NRKISCHYPMFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-12(24)19-15-4-3-5-16(10-15)23-17(20-21-22-23)25-11-13-6-8-14(18-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,19,24).
What are the key properties of N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 54126630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).