N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide

C15H20N6O2S — CID 644663

IUPACN-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C
InChIInChI=1S/C15H20N6O2S/c1-4-13(22)17-12-7-6-11(8-10(12)3)16-14(23)9-24-15-18-19-20-21(15)5-2/h6-8H,4-5,9H2,1-3H3,(H,16,23)(H,17,22)
InChIKeyYCDMMXHEZKICPM-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.08
Rot. Bonds7

About N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide

N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide (PubChem CID 644663) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide
PubChem CID644663
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C
InChIInChI=1S/C15H20N6O2S/c1-4-13(22)17-12-7-6-11(8-10(12)3)16-14(23)9-24-15-18-19-20-21(15)5-2/h6-8H,4-5,9H2,1-3H3,(H,16,23)(H,17,22)
InChIKeyYCDMMXHEZKICPM-UHFFFAOYSA-N
XLogP2.08
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-{3-[2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 645548
N-(3-Acetylamino-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647370
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739
N-(3-Acetylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648551
N-{3-[2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 651076

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide (CID 644663) is N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C.
What is the InChIKey of N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is YCDMMXHEZKICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-4-13(22)17-12-7-6-11(8-10(12)3)16-14(23)9-24-15-18-19-20-21(15)5-2/h6-8H,4-5,9H2,1-3H3,(H,16,23)(H,17,22).
What are the key properties of N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide?
N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 644663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).