N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide

C16H17N5OS — CID 23913595

IUPACN-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(NC(=O)C(Cc2cccs2)c2nn[nH]n2)c(C)c1
InChIInChI=1S/C16H17N5OS/c1-10-5-6-14(11(2)8-10)17-16(22)13(15-18-20-21-19-15)9-12-4-3-7-23-12/h3-8,13H,9H2,1-2H3,(H,17,22)(H,18,19,20,21)
InChIKeyCHYWBBIJSMHCBZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.84
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide

N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 23913595) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID23913595
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(NC(=O)C(Cc2cccs2)c2nn[nH]n2)c(C)c1
InChIInChI=1S/C16H17N5OS/c1-10-5-6-14(11(2)8-10)17-16(22)13(15-18-20-21-19-15)9-12-4-3-7-23-12/h3-8,13H,9H2,1-2H3,(H,17,22)(H,18,19,20,21)
InChIKeyCHYWBBIJSMHCBZ-UHFFFAOYSA-N
XLogP2.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603040
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
3-amino-N-(2,5-dimethylphenyl)-3-hydroxyimino-2-(thiophen-2-ylmethyl)propanamide
CID 3171661
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110296604
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 24651830
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide (CID 23913595) is N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide is Cc1ccc(NC(=O)C(Cc2cccs2)c2nn[nH]n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is CHYWBBIJSMHCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10-5-6-14(11(2)8-10)17-16(22)13(15-18-20-21-19-15)9-12-4-3-7-23-12/h3-8,13H,9H2,1-2H3,(H,17,22)(H,18,19,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 23913595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).