N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide

C21H23N5O2S — CID 7713643

IUPACN-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H23N5O2S/c1-4-20(28)22-17-9-5-16(6-10-17)19(27)13-29-21-23-24-25-26(21)18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,28)
InChIKeyYOMOSWXTELXIOB-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.11
Rot. Bonds8

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

N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide (PubChem CID 7713643) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
PubChem CID7713643
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H23N5O2S/c1-4-20(28)22-17-9-5-16(6-10-17)19(27)13-29-21-23-24-25-26(21)18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,28)
InChIKeyYOMOSWXTELXIOB-UHFFFAOYSA-N
XLogP4.11
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
CID 7560622
1-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7561394
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703
N-[4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
CID 7877856
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
1-[4-[(2R)-butan-2-yl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7757146
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 7561504
N-[4-[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]phenyl]propanamide
CID 60564011
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7713624

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide (CID 7713643) is N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide?
The InChIKey is YOMOSWXTELXIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-4-20(28)22-17-9-5-16(6-10-17)19(27)13-29-21-23-24-25-26(21)18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,28).
What are the key properties of N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide?
N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide has a molecular weight of 409.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide is sourced from PubChem (CID 7713643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).