2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide

C18H21N5OS2 — CID 8594551

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CSc2nnnn2C)s1
InChIInChI=1S/C18H21N5OS2/c1-14-8-9-16(26-14)12-23(11-10-15-6-4-3-5-7-15)17(24)13-25-18-19-20-21-22(18)2/h3-9H,10-13H2,1-2H3
InChIKeyRJORBRRUFRNUFE-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.94
Rot. Bonds8

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 8594551) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID8594551
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CSc2nnnn2C)s1
InChIInChI=1S/C18H21N5OS2/c1-14-8-9-16(26-14)12-23(11-10-15-6-4-3-5-7-15)17(24)13-25-18-19-20-21-22(18)2/h3-9H,10-13H2,1-2H3
InChIKeyRJORBRRUFRNUFE-UHFFFAOYSA-N
XLogP2.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
N-benzyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 4801813
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17431599
N-[(5-methylthiophen-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)butanamide
CID 55390613
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 8911506
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)prop-2-enamide
CID 46538357

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 8594551) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CSc2nnnn2C)s1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is RJORBRRUFRNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-14-8-9-16(26-14)12-23(11-10-15-6-4-3-5-7-15)17(24)13-25-18-19-20-21-22(18)2/h3-9H,10-13H2,1-2H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 387.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 8594551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).