2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

C15H21N5OS — CID 1449901

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C15H21N5OS/c1-11(2)19(12(3)4)14(21)10-22-15-16-17-18-20(15)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyBTLRXBBFUGDLBU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.40
Rot. Bonds6

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 1449901) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID1449901
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C15H21N5OS/c1-11(2)19(12(3)4)14(21)10-22-15-16-17-18-20(15)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyBTLRXBBFUGDLBU-UHFFFAOYSA-N
XLogP2.40
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7534557
N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
CID 16539690
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
N-benzyl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 2610178
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
1-[4-[(2R)-butan-2-yl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7757146
N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 42982990
N-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 16539694
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2408269

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 1449901) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nnnn1-c1ccccc1)C(C)C.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is BTLRXBBFUGDLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(2)19(12(3)4)14(21)10-22-15-16-17-18-20(15)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 1449901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).