N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C19H22N6OS — CID 42982990

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C)C(CNC(=O)CSc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N6OS/c1-24(2)17(15-9-5-3-6-10-15)13-20-18(26)14-27-19-21-22-23-25(19)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,20,26)
InChIKeyBTRGHKLJLJBMDT-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.17
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 42982990) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID42982990
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C)C(CNC(=O)CSc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N6OS/c1-24(2)17(15-9-5-3-6-10-15)13-20-18(26)14-27-19-21-22-23-25(19)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,20,26)
InChIKeyBTRGHKLJLJBMDT-UHFFFAOYSA-N
XLogP2.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]acetamide
CID 9379281
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 8859867
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7862481
N-[2-(dimethylamino)-2-phenylethyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112784131
[(1S)-2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7562998
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 42982990) is N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CN(C)C(CNC(=O)CSc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BTRGHKLJLJBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-24(2)17(15-9-5-3-6-10-15)13-20-18(26)14-27-19-21-22-23-25(19)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,20,26).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 42982990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).