N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide

C19H19N5O2S — CID 2925271

IUPACN-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide
SMILESCCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H19N5O2S/c1-3-17(18(26)20-15-9-7-8-14(12-15)13(2)25)27-19-21-22-23-24(19)16-10-5-4-6-11-16/h4-12,17H,3H2,1-2H3,(H,20,26)
InChIKeyDCQXUXOXRWBFES-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.37
Rot. Bonds7

About N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide

N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 2925271) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide
PubChem CID2925271
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide
SMILESCCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H19N5O2S/c1-3-17(18(26)20-15-9-7-8-14(12-15)13(2)25)27-19-21-22-23-24(19)16-10-5-4-6-11-16/h4-12,17H,3H2,1-2H3,(H,20,26)
InChIKeyDCQXUXOXRWBFES-UHFFFAOYSA-N
XLogP3.37
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide (CID 2925271) is N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide is CCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is DCQXUXOXRWBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-3-17(18(26)20-15-9-7-8-14(12-15)13(2)25)27-19-21-22-23-24(19)16-10-5-4-6-11-16/h4-12,17H,3H2,1-2H3,(H,20,26).
What are the key properties of N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 381.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 2925271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).