N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide

C19H18ClN5O2S — CID 7560622

IUPACN-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN5O2S/c1-2-3-18(27)21-15-8-4-13(5-9-15)17(26)12-28-19-22-23-24-25(19)16-10-6-14(20)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,27)
InChIKeyKPNMHICBYGMSFY-UHFFFAOYSA-N
MW415.91 g/mol
LogP4.03
Rot. Bonds8

About N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide

N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide (PubChem CID 7560622) has the molecular formula C19H18ClN5O2S and a molecular weight of 415.91 g/mol. Its IUPAC name is N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
PubChem CID7560622
Molecular FormulaC19H18ClN5O2S
Molecular Weight415.91 g/mol
Exact Mass415.09
IUPAC NameN-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN5O2S/c1-2-3-18(27)21-15-8-4-13(5-9-15)17(26)12-28-19-22-23-24-25(19)16-10-6-14(20)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,27)
InChIKeyKPNMHICBYGMSFY-UHFFFAOYSA-N
XLogP4.03
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
CID 7713643
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7856915
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
CID 7434036
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 2610082
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 3249730
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide (CID 7560622) is N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide?
The InChIKey is KPNMHICBYGMSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S/c1-2-3-18(27)21-15-8-4-13(5-9-15)17(26)12-28-19-22-23-24-25(19)16-10-6-14(20)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,27).
What are the key properties of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide?
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide has a molecular weight of 415.91 g/mol, XLogP of 4.03, 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-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide is sourced from PubChem (CID 7560622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).