N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide

C15H20N6O2S — CID 647739

IUPACN-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1
InChIInChI=1S/C15H20N6O2S/c1-4-13(22)16-11-5-7-12(8-6-11)17-14(23)9-24-15-18-19-20-21(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyHJKGSAHLPXABDF-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.33
Rot. Bonds7

About N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide

N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide (PubChem CID 647739) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
PubChem CID647739
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1
InChIInChI=1S/C15H20N6O2S/c1-4-13(22)16-11-5-7-12(8-6-11)17-14(23)9-24-15-18-19-20-21(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyHJKGSAHLPXABDF-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
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
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 16305823
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1224972
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
[5-({2-[(2,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]acetic acid
CID 714841
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide (CID 647739) is N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1.
What is the InChIKey of N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
The InChIKey is HJKGSAHLPXABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-4-13(22)16-11-5-7-12(8-6-11)17-14(23)9-24-15-18-19-20-21(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,22)(H,17,23).
What are the key properties of N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
N-[4-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 2.33, 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-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide is sourced from PubChem (CID 647739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).