(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide

C17H24N6O2S — CID 8977397

IUPAC(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N6O2S/c1-5-8-18-16(25)13(4)19-15(24)10-26-17-20-21-22-23(17)14-7-6-11(2)12(3)9-14/h6-7,9,13H,5,8,10H2,1-4H3,(H,18,25)(H,19,24)/t13-/m0/s1
InChIKeyYMFZUJFJKVUONG-ZDUSSCGKSA-N
MW376.49 g/mol
LogP1.40
Rot. Bonds8

About (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide

(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide (PubChem CID 8977397) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
PubChem CID8977397
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N6O2S/c1-5-8-18-16(25)13(4)19-15(24)10-26-17-20-21-22-23(17)14-7-6-11(2)12(3)9-14/h6-7,9,13H,5,8,10H2,1-4H3,(H,18,25)(H,19,24)/t13-/m0/s1
InChIKeyYMFZUJFJKVUONG-ZDUSSCGKSA-N
XLogP1.40
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 17407700
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide
CID 8977443
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661606
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7534557
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
N-[3-(tert-butylamino)propyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8977346
N-(2-cyano-3-methylbutan-2-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 42918669
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8860022
N-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
CID 7661538
N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide (CID 8977397) is (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1.
What is the InChIKey of (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
The InChIKey is YMFZUJFJKVUONG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-5-8-18-16(25)13(4)19-15(24)10-26-17-20-21-22-23(17)14-7-6-11(2)12(3)9-14/h6-7,9,13H,5,8,10H2,1-4H3,(H,18,25)(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide has a molecular weight of 376.49 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8977397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).